3162p21c

Table 1 Crystal data and structure refinement for 3162p21c.
Identification code 3162p21c
Empirical formula C73H179K5Li8O22Si12
Formula weight 1997.25
Temperature/K 293(2)
Crystal system monoclinic
Space group P21/c
a/Å 16.9979(7)
b/Å 16.9979(7)
c/Å 43.798(3)
α/° 90
β/° 90.10(10)
γ/° 90
Volume/Å3 12654.5(11)
Z 4
ρcalcg/cm3 1.048
μ/mm‑1 0.337
F(000) 4320.0
Crystal size/mm3 0.05 × 0.05 × 0.05
Radiation MoKα (λ = 0.71073)
2Θ range for data collection/° 4.386 to 50
Index ranges -20 ≤ h ≤ 20, -20 ≤ k ≤ 20, -52 ≤ l ≤ 52
Reflections collected 80446
Independent reflections 22024 [Rint = 0.0904, Rsigma = 0.0768]
Data/restraints/parameters 22024/99/1146
Goodness-of-fit on F2 1.092
Final R indexes [I>=2σ (I)] R1 = 0.1012, wR2 = 0.2743
Final R indexes [all data] R1 = 0.1460, wR2 = 0.3119
Largest diff. peak/hole / e Å-3 1.57/-0.32

 

Table 2 Fractional Atomic Coordinates (×104) and Equivalent Isotropic Displacement Parameters (Å2×103) for 3162p21c. Ueq is defined as 1/3 of of the trace of the orthogonalised UIJ tensor.
AtomxyzU(eq)
K12499.7(8)2500.7(8)6749.2(3)53.6(3)
Si14083.0(12)1114.8(14)6908.4(5)75.4(6)
Si23887.5(13)4081.0(12)6909.7(5)74.9(6)
Si3917.9(12)3885.0(14)6909.3(5)73.9(6)
Si41113.4(13)917.8(12)6908.7(5)74.1(6)
O13522(2)1627(2)7122.2(10)58.0(11)
O23375(2)3523(2)7121.4(10)57.3(11)
O31476(2)3372(2)7121.6(10)57.0(11)
O41628(2)1478(2)7121.7(10)56.2(10)
O52505(5)2500(5)6100.2(13)114(2)
O64494(3)2682(3)7614.6(15)91.7(17)
O72683(3)509(3)7615.1(15)92.5(17)
O8508(3)2315(3)7615.9(15)94.9(19)
O92320(3)4492(4)7615.7(15)92.9(18)
O102499(2)2498(3)7543.7(9)53.8(10)
C14133(5)1498(5)6514.4(19)88(2)
C25120(6)1095(10)7052(3)153(6)
C33717(8)82(5)6868(2)120(4)
C43505(5)4131(5)6517.7(18)88(3)
C53914(10)5113(6)7050(3)155(6)
C64918(5)3711(8)6870(2)119(4)
C7870(5)3494(6)6513.7(19)90(3)
C81299(8)4916(5)6865(2)120(4)
C9-115(6)3922(10)7043(3)162(6)
C1089(5)1283(8)6862(2)123(4)
C111082(9)-120(6)7052(3)153(6)
C121508(5)862(5)6514.6(19)90(3)
C174852(8)2067(7)7773(3)134(5)
C185044(16)2363(10)8053(4)250(12)
C194946(13)3242(10)8034(4)201(8)
C204825(7)3385(6)7721(3)107(3)
C212067(6)152(8)7780(3)143(5)
C222341(9)-98(15)8043(4)245(12)
C233211(10)-7(15)8020(4)265(14)
C243372(6)181(7)7735(3)115(4)
C25148(8)2929(6)7778(3)132(5)
C26-109(15)2650(9)8041(4)241(10)
C27-20(15)1780(9)8012(4)251(11)
C28178(6)1627(5)7733(3)108(3)
C292932(7)4857(8)7776(3)139(5)
C302645(10)5069(15)8049(3)225(11)
C311762(10)4935(12)8032(3)182(7)
C321624(6)4823(7)7726(2)108(3)
C332528(8)2483(8)7869(3)139(4)
Li13582(7)2583(7)7338(3)63(3)
Li22588(6)1421(6)7338(3)60(3)
Li31432(6)2421(6)7338(2)59(3)
Li42417(6)3578(6)7336(3)59(3)
C13A1824(13)2370(30)5893(5)183(17)
C14A2080(15)2300(30)5611(5)120(7)
C15A2929(16)2750(20)5635(6)123(9)
C16A3188(14)2630(30)5904(5)192(19)
C13B2650(20)1834(13)5897(5)146(9)
C14B2710(30)2085(16)5626(6)146(9)
C15B2270(30)2933(16)5622(6)146(14)
C16B2350(30)3163(15)5899(5)200(20)
K26957.4(7)1468.6(8)5553.0(3)48.6(3)
K36467.3(8)3041.3(7)4447.1(3)48.9(3)
K48530.3(8)1956.8(7)4447.1(3)48.6(3)
K58043.7(7)3531.0(8)5552.8(3)48.9(3)
Si55302.6(10)1891.9(11)5028.6(4)52.6(4)
Si66176.6(10)3188.0(11)5940.9(4)53.5(4)
Si78823.9(10)1812.2(11)5940.3(4)53.5(4)
Si89695.7(9)3107.2(11)5028.5(4)52.2(4)
Si96890.3(11)4698.9(10)4971.6(4)52.1(4)
Si108187.3(11)3823.6(10)4059.8(4)54.2(4)
Si116810.9(11)1176.6(10)4060.1(4)53.8(4)
Si128108.6(11)303.2(10)4971.9(4)52.4(4)
O116215(2)2085(2)5009.7(9)45.3(9)
O126596(2)2987(2)5625.4(8)47.3(9)
O138409(2)2008(2)5624.6(8)48.2(9)
O148785(2)2913(2)5010.4(8)45.1(9)
O157085(2)3782(2)4990.5(8)45.0(9)
O167990(2)3403(2)4374.0(8)46.6(9)
O177009(2)1592(2)4372.9(8)48.2(9)
O187915(2)1217(2)4989.8(9)45.1(9)
O196451(4)121(4)5840.4(14)99.8(19)
O205118(4)3546(4)4159.4(15)98.1(19)
O219877(4)1460(4)4157.6(14)96.8(19)
O228543(4)4882(4)5841.8(15)97.9(19)
C344988(4)1258(5)4707.3(18)77(2)
C355037(4)1359(5)5383.2(17)71(2)
C364733(5)2821(5)5014.7(19)82(2)
C375128(4)3491(6)5896.8(18)80(2)
C386181(5)2325(5)6201.7(16)82(2)
C396690(5)3996(5)6152.6(16)73(2)
C408809(5)2680(5)6204.6(17)79(2)
C418312(5)1008(5)6150.2(16)72(2)
C429867(4)1506(6)5896.0(19)81(2)
C439964(4)3644(5)5381.4(17)74(2)
C4410269(5)2175(5)5020.5(18)78(2)
C4510014(4)3739(5)4706.6(18)78(2)
C467820(5)5279(5)4980.6(18)80(2)
C476258(5)5011(4)5297.7(17)80(2)
C486359(5)4955(4)4616.7(17)72(2)
C498488(6)4866(4)4102.4(17)80(2)
C509002(5)3315(5)3848.4(15)74(2)
C517332(5)3823(5)3795.7(17)80(2)
C526002(5)1684(5)3848.9(16)74(2)
C537677(5)1183(5)3795.4(17)79(2)
C546506(6)121(4)4104.8(17)80(2)
C558747(5)-18(5)5290.4(17)79(2)
C567180(5)-276(5)4982(2)84(2)
C578641(5)36(4)4620.4(17)70.2(19)
C586842(6)-605(6)5872(2)99(3)
C596641(11)-875(9)6174(3)177(6)
C605950(8)-429(9)6279(3)146(5)
C615781(8)77(7)6028(3)150(5)
C625073(8)4224(8)3976(3)148(5)
C634590(10)4046(8)3722(3)144(5)
C644124(9)3345(13)3823(4)201(9)
C654396(5)3162(6)4126(2)101(3)
C669918(8)777(8)3972(3)148(5)
C6710436(10)948(8)3730(3)150(5)
C6810877(9)1652(11)3830(3)172(6)
C6910598(5)1832(7)4125(2)105(3)
C709205(8)4926(8)6031(3)146(5)
C719044(8)5427(9)6276(3)142(4)
C728349(11)5881(9)6171(3)174(6)
C738174(7)5601(6)5872(2)104(3)
Li56962(6)1510(6)4790(2)48(2)
Li68045(5)3483(6)4789(2)45(2)
Li76515(5)3027(5)5209(2)43(2)
Li88481(6)1962(6)5209(2)48(2)

 

Table 3 Anisotropic Displacement Parameters (Å2×103) for 3162p21c. The Anisotropic displacement factor exponent takes the form: -2π2[h2a*2U11+2hka*b*U12+…].
AtomU11U22U33U23U13U12
K151.2(7)51.9(7)57.7(8)0.5(6)0.7(6)-0.3(6)
Si158.2(12)76.9(14)91.0(15)-25.0(11)-8.5(10)22.9(11)
Si275.8(13)56.5(12)92.5(15)-10.3(10)26.6(11)-23.0(10)
Si357.5(11)75.5(14)88.7(15)25.6(11)9.0(10)22.4(10)
Si474.5(13)56.2(12)91.6(15)9.2(10)-24.1(11)-21.9(10)
O147(2)48(2)79(3)-11(2)-3(2)5.3(19)
O246(2)48(2)78(3)-3(2)11(2)-6.1(19)
O342(2)48(2)81(3)10(2)4(2)6.1(19)
O448(2)43(2)78(3)5(2)-8(2)-6.3(19)
O5140(6)127(6)76(4)3(4)4(4)1(5)
O679(4)69(4)127(5)-15(3)-38(3)-4(3)
O767(3)80(4)130(5)40(3)-14(3)5(3)
O882(4)69(4)133(5)15(3)48(3)-2(3)
O967(3)86(4)126(5)-45(3)16(3)4(3)
O1051(2)58(3)53(2)0.7(19)1.7(18)-0.9(19)
C174(5)98(6)92(6)-27(5)14(4)7(5)
C279(7)234(16)145(10)-49(10)-18(6)71(9)
C3188(12)58(5)114(8)-22(5)-13(7)32(6)
C4107(7)65(5)91(6)17(4)35(5)-4(5)
C5245(17)79(7)142(10)-26(6)55(10)-65(9)
C663(5)178(11)115(7)-11(7)26(5)-38(6)
C771(5)108(7)91(6)33(5)-13(4)-3(5)
C8179(11)67(6)113(8)23(5)7(7)25(7)
C982(7)264(18)141(10)60(10)22(7)79(9)
C1064(5)190(12)116(8)10(7)-27(5)-37(7)
C11233(16)68(6)157(11)21(6)-56(10)-67(8)
C1296(6)76(6)98(6)-20(5)-26(5)1(5)
C17143(10)92(8)167(11)-16(7)-90(9)0(7)
C18440(40)136(14)170(15)46(12)-135(19)-86(18)
C19310(20)141(13)152(14)-26(10)-90(14)-47(15)
C20116(8)84(7)121(8)-14(6)-35(6)-15(6)
C2185(7)179(12)165(11)113(10)-23(7)-18(7)
C2298(10)420(30)212(17)180(20)31(10)27(15)
C23146(14)450(40)199(17)200(20)-11(12)80(18)
C2478(6)118(8)149(10)46(7)-22(6)2(6)
C25144(10)91(7)163(10)15(7)90(8)5(7)
C26420(30)128(12)173(13)-35(10)170(16)-60(15)
C27430(30)126(11)198(14)3(11)186(17)-77(15)
C28107(7)76(6)142(9)17(6)51(6)-5(5)
C29104(8)148(11)165(11)-95(9)19(7)0(7)
C30144(14)420(30)109(10)-100(15)-29(9)23(17)
C31162(14)260(20)121(11)-68(11)22(9)55(14)
C3286(6)112(8)125(8)-36(6)18(6)21(6)
C33137(11)151(11)131(10)0(8)15(8)5(9)
Li161(7)58(7)69(7)-12(5)-8(5)2(5)
Li253(6)52(6)75(7)4(5)-2(5)-3(5)
Li348(6)52(6)75(7)9(5)8(5)-1(5)
Li450(6)53(6)75(7)-6(5)11(5)0(5)
C13A92(15)370(50)88(15)60(20)-43(12)-140(20)
C14A110(14)170(20)77(13)-25(16)-17(11)24(16)
C15A105(14)170(30)94(16)36(17)19(12)22(15)
C16A99(17)390(60)86(16)-30(20)28(13)-130(30)
C13B250(30)86(11)99(11)-20(10)-27(16)84(15)
C14B250(30)86(11)99(11)-20(10)-27(16)84(15)
C15B270(50)82(17)90(19)5(13)-50(20)30(20)
C16B430(60)103(18)77(16)30(13)30(20)150(30)
K242.4(7)48.9(7)54.6(7)6.7(6)1.5(5)-2.8(6)
K349.2(7)43.0(7)54.6(7)1.8(5)-5.7(6)1.6(6)
K448.9(7)42.4(7)54.5(7)-1.2(5)6.3(6)2.7(6)
K542.9(7)48.9(7)54.9(8)-6.4(6)-0.9(5)-1.7(6)
Si539.8(8)56.1(10)62.0(10)-3.6(8)-0.2(7)-2.5(8)
Si645.2(9)66.1(11)49.1(9)-5.8(8)7.8(7)1.6(8)
Si746.3(9)64.7(11)49.4(9)5.7(8)-5.7(7)1.7(8)
Si838.1(8)56.1(10)62.4(10)3.5(8)1.5(7)-2.7(8)
Si956.4(10)38.8(9)61.1(10)-1.1(7)4.1(8)2.4(8)
Si1065.6(11)46.3(9)50.6(10)7.1(7)6.4(8)-2.4(8)
Si1164.6(11)47.5(10)49.2(10)-7.8(7)-4.9(8)-3.3(8)
Si1256.2(10)39.0(9)62.1(10)0.6(7)-1.7(8)2.3(8)
O1138(2)42(2)56(2)-4.6(17)2.6(17)-1.6(17)
O1244(2)50(2)47(2)-3.5(17)5.3(17)-1.6(18)
O1344(2)52(2)48(2)2.7(18)-5.0(17)-2.9(18)
O1438(2)44(2)53(2)5.1(17)0.0(16)-2.0(17)
O1547(2)34(2)53(2)1.0(16)4.2(17)3.2(17)
O1649(2)43(2)48(2)7.5(17)3.3(17)2.2(18)
O1754(2)46(2)45(2)-6.3(17)-4.1(17)2.7(19)
O1843(2)37(2)54(2)0.1(17)-2.5(17)0.2(17)
O1994(4)88(4)117(5)40(3)23(3)-11(3)
O2083(4)90(4)121(5)24(4)-39(3)8(3)
O2191(4)84(4)116(5)-22(3)37(3)8(3)
O2291(4)85(4)118(5)-40(3)-20(3)-10(3)
C3458(4)89(6)83(5)-19(4)-5(4)-19(4)
C3548(4)77(5)90(5)5(4)6(3)-20(4)
C3660(4)91(6)94(6)1(4)2(4)21(4)
C3755(4)108(6)76(5)-29(4)8(3)14(4)
C3892(6)90(6)65(4)4(4)22(4)-11(5)
C3975(5)84(5)58(4)-19(4)7(3)-8(4)
C4079(5)90(6)67(4)-15(4)-12(4)-10(4)
C4178(5)81(5)59(4)18(4)-6(3)-5(4)
C4254(4)107(7)81(5)21(4)-6(4)10(4)
C4352(4)86(5)84(5)-5(4)-4(3)-16(4)
C4466(5)88(6)81(5)1(4)-1(4)21(4)
C4557(4)93(6)85(5)24(4)4(4)-18(4)
C4687(6)71(5)81(5)-3(4)0(4)-22(4)
C47102(6)56(4)81(5)-7(4)29(4)17(4)
C4879(5)61(4)76(5)11(4)-3(4)19(4)
C49113(6)52(4)75(5)8(3)21(4)-19(4)
C5089(5)79(5)56(4)9(3)21(4)10(4)
C5185(5)90(6)65(5)19(4)-10(4)12(5)
C5287(5)75(5)61(4)-9(4)-18(4)5(4)
C5383(5)91(6)64(4)-26(4)9(4)7(4)
C54109(6)61(5)70(5)-9(4)-24(4)-22(4)
C5596(6)62(5)81(5)0(4)-23(4)21(4)
C5692(6)63(5)98(6)-4(4)4(5)-17(4)
C5777(5)50(4)84(5)-8(3)4(4)16(4)
C58100(6)77(5)120(7)13(5)8(5)-18(4)
C59265(17)133(11)132(9)57(8)58(10)44(10)
C60148(11)190(13)101(7)26(7)29(7)-23(8)
C61140(10)115(9)196(12)52(8)85(9)4(7)
C62123(10)139(11)182(13)84(10)-47(9)0(8)
C63227(16)119(10)87(7)22(7)-31(9)29(10)
C64124(11)320(20)160(13)96(15)-73(10)-44(14)
C6569(6)110(8)125(8)1(6)-7(5)11(5)
C66123(9)142(10)179(11)-73(9)46(8)4(7)
C67193(13)133(10)124(9)-29(7)45(8)21(8)
C68137(10)234(14)144(10)-53(10)61(8)-28(9)
C6972(6)130(8)113(7)-8(6)17(5)15(6)
C70139(10)129(10)171(11)-45(8)-77(9)-8(7)
C71132(9)182(12)112(8)-27(7)-22(6)-32(8)
C72246(15)133(11)142(10)-54(8)-63(10)21(9)
C73119(8)77(6)114(7)-16(5)-7(5)-15(6)
Li546(5)48(5)50(5)3(4)-2(4)1(4)
Li643(5)48(5)45(5)2(4)-1(4)-5(4)
Li745(5)36(5)48(5)-3(4)2(4)-1(4)
Li849(5)44(5)51(5)-2(4)2(4)-3(4)

 

Table 4 Bond Lengths for 3162p21c.
AtomAtomLength/Å AtomAtomLength/Å
K1O12.808(5) K3Li73.337(9)
K1O22.807(5) K4Si83.770(3)
K1O32.809(5) K4Si103.644(2)
K1O42.809(5) K4Si113.627(3)
K1O52.842(6) K4Si123.702(2)
K1C43.411(8) K4O142.986(4)
K1C73.402(9) K4O162.644(4)
K1C123.412(9) K4O172.679(4)
K1Li13.169(12) K4O182.887(4)
K1Li23.169(11) K4O212.751(6)
K1Li33.157(10) K4Li53.154(10)
K1Li43.159(11) K4Li63.108(10)
Si1O11.596(5) K4Li83.339(9)
Si1C11.847(9) K5Si63.650(3)
Si1C21.872(11) K5Si73.629(3)
Si1C31.870(10) K5Si83.701(4)
Si2O21.588(4) K5O122.649(4)
Si2C41.837(9) K5O132.680(4)
Si2C51.859(10) K5O142.889(4)
Si2C61.869(10) K5O152.982(5)
Si3O31.588(5) K5O222.756(6)
Si3C71.857(9) K5C403.453(8)
Si3C81.879(10) K5Li63.347(9)
Si3C91.852(10) K5Li73.121(10)
Si4O41.594(5) K5Li83.152(9)
Si4C101.859(10) Si5O111.588(4)
Si4C111.873(10) Si5C341.850(7)
Si4C121.855(9) Si5C351.854(7)
O1Li11.883(12) Si5C361.854(8)
O1Li21.881(11) Si5Li53.080(10)
O2Li11.891(13) Si5Li72.931(9)
O2Li41.883(11) Si6O121.593(4)
O3Li31.875(11) Si6C371.865(7)
O3Li41.886(13) Si6C381.859(8)
O4Li21.889(12) Si6C391.872(7)
O4Li31.889(12) Si7O131.586(4)
O5C13A1.486(18) Si7C401.875(8)
O5C16A1.463(19) Si7C411.863(7)
O5C13B1.46(2) Si7C421.858(7)
O5C16B1.45(2) Si8O141.585(4)
O6C171.395(12) Si8C431.851(8)
O6C201.400(10) Si8C441.860(8)
O6Li11.972(13) Si8C451.854(7)
O7C211.411(11) Si8Li63.061(10)
O7C241.398(11) Si8Li82.947(10)
O7Li21.976(12) Si9O151.595(4)
O8C251.404(11) Si9C461.863(8)
O8C281.397(10) Si9C471.866(7)
O8Li31.998(11) Si9C481.849(8)
O9C291.399(12) Si9Li62.961(10)
O9C321.397(10) Si9Li73.092(9)
O9Li41.986(12) Si10O161.587(4)
O10C331.428(12) Si10C491.853(7)
O10Li12.055(12) Si10C501.879(7)
O10Li22.046(12) Si10C511.857(8)
O10Li32.029(12) Si11O171.577(4)
O10Li42.054(12) Si11C521.867(8)
C17C181.362(18) Si11C531.875(7)
C18C191.50(2) Si11C541.879(8)
C19C201.407(17) Si12O181.590(4)
C21C221.310(17) Si12C551.848(8)
C22C231.49(2) Si12C561.861(8)
C23C241.319(16) Si12C571.844(7)
C25C261.319(15) Si12Li52.939(10)
C26C271.49(2) Si12Li83.070(10)
C27C281.293(16) O11Li51.872(10)
C29C301.343(15) O11Li71.893(10)
C30C311.52(2) O12Li71.831(10)
C31C321.374(15) O13Li81.826(10)
Li1Li22.599(16) O14Li61.860(10)
Li1Li42.605(16) O14Li81.908(10)
Li2Li32.597(15) O15Li61.925(10)
Li3Li42.583(15) O15Li71.871(9)
C13AC14A1.31(3) O16Li61.825(10)
C14AC15A1.63(4) O17Li51.832(10)
C15AC16A1.27(3) O18Li51.907(11)
C13BC14B1.27(3) O18Li81.857(10)
C14BC15B1.63(3) O19C581.408(11)
C15BC16B1.28(3) O19C611.408(11)
K2Si53.699(4) O20C621.406(12)
K2Si63.633(2) O20C651.397(11)
K2Si73.642(3) O21C661.418(12)
K2Si123.775(3) O21C691.388(11)
K2O112.888(5) O22C701.398(12)
K2O122.672(4) O22C731.380(11)
K2O132.651(4) C58C591.444(14)
K2O182.989(4) C59C601.472(18)
K2O192.752(6) C60C611.424(16)
K2Li53.345(9) C62C631.414(17)
K2Li73.139(9) C63C641.499(19)
K2Li83.113(10) C64C651.440(15)
K3Si93.705(2) C66C671.411(16)
K3Si103.635(3) C67C681.479(19)
K3Si113.642(2) C68C691.409(14)
K3O112.983(4) C70C711.395(16)
K3O152.889(4) C71C721.483(19)
K3O162.680(4) C72C731.425(14)
K3O172.649(4) Li5Li73.257(13)
K3O202.752(6) Li5Li83.258(14)
K3C483.342(8) Li6Li73.280(12)
K3Li53.119(10) Li6Li83.259(14)
K3Li63.160(10)    

 

Table 5 Bond Angles for 3162p21c.
AtomAtomAtomAngle/˚ AtomAtomAtomAngle/˚
O1K1O270.28(14) O13K5Li789.11(19)
O1K1O3108.92(13) O13K5Li835.33(19)
O1K1O470.20(13) O14K5Si6134.90(11)
O1K1O5125.36(19) O14K5Si786.12(8)
O1K1C4107.04(19) O14K5Si824.01(9)
O1K1C7160.30(17) O14K5O1567.14(11)
O1K1C1292.77(19) O14K5C40111.30(16)
O1K1Li136.1(2) O14K5Li633.70(18)
O1K1Li236.1(2) O14K5Li782.36(18)
O1K1Li381.8(2) O14K5Li836.49(18)
O1K1Li482.1(2) O15K5Si686.16(9)
O2K1O370.42(13) O15K5Si7134.47(9)
O2K1O4108.97(13) O15K5Si885.97(8)
O2K1O5125.34(19) O15K5C40161.37(16)
O2K1C453.46(18) O15K5Li634.82(18)
O2K1C7107.4(2) O15K5Li735.62(18)
O2K1C12160.18(18) O15K5Li881.7(2)
O2K1Li136.3(2) O22K5Si6100.77(15)
O2K1Li282.0(2) O22K5Si7110.12(16)
O2K1Li381.8(2) O22K5Si8102.33(14)
O2K1Li436.2(2) O22K5O14123.10(16)
O3K1O5125.7(2) O22K5O15115.31(17)
O3K1C493.17(17) O22K5C4081.6(2)
O3K1C753.81(18) O22K5Li6118.6(2)
O3K1C12107.38(19) O22K5Li7134.9(2)
O3K1Li182.2(2) O22K5Li8148.4(2)
O3K1Li282.0(2) C40K5Si682.80(16)
O3K1Li336.0(2) C40K5Si730.58(13)
O3K1Li436.3(2) C40K5Si898.40(15)
O4K1O370.16(13) Li6K5Si6117.64(18)
O4K1O5125.7(2) Li6K5Si7116.57(17)
O4K1C4160.14(17) Li6K5Si851.19(17)
O4K1C793.03(17) Li6K5C40144.6(2)
O4K1C1253.78(18) Li7K5Si657.13(16)
O4K1Li182.0(2) Li7K5Si7107.95(18)
O4K1Li236.2(2) Li7K5Si8106.19(16)
O4K1Li336.3(2) Li7K5C40126.6(2)
O4K1Li482.1(2) Li7K5Li660.8(2)
O5K1C472.6(2) Li7K5Li874.6(2)
O5K1C772.6(2) Li8K5Si6107.05(18)
O5K1C1272.6(2) Li8K5Si757.03(18)
O5K1Li1144.2(3) Li8K5Si850.15(17)
O5K1Li2144.4(3) Li8K5C4087.2(2)
O5K1Li3145.0(3) Li8K5Li660.1(2)
O5K1Li4144.5(3) K2Si5K396.92(5)
C4K1C12145.2(2) O11Si5K247.99(16)
C7K1C485.1(2) O11Si5K349.01(16)
C7K1C1285.0(2) O11Si5C34111.2(3)
Li1K1C485.2(3) O11Si5C35112.6(3)
Li1K1C7134.1(3) O11Si5C36109.4(3)
Li1K1C12124.5(3) O11Si5Li529.6(2)
Li2K1C4133.6(3) O11Si5Li736.0(2)
Li2K1C7124.9(3) C34Si5K2125.3(3)
Li2K1C1278.2(3) C34Si5K386.5(3)
Li2K1Li148.4(3) C34Si5C35106.4(4)
Li3K1C4124.5(2) C34Si5C36108.7(4)
Li3K1C778.5(3) C34Si5Li583.2(3)
Li3K1C1285.8(3) C34Si5Li7142.2(3)
Li3K1Li170.8(3) C35Si5K264.6(2)
Li3K1Li248.5(3) C35Si5K3161.2(2)
Li3K1Li448.3(3) C35Si5Li5114.0(3)
Li4K1C478.1(2) C35Si5Li7105.6(3)
Li4K1C785.5(3) C36Si5K2125.6(3)
Li4K1C12134.1(2) C36Si5K379.1(3)
Li4K1Li148.6(3) C36Si5C35108.4(4)
Li4K1Li271.1(3) C36Si5Li5130.3(3)
O1Si1K146.96(18) C36Si5Li779.3(3)
O1Si1C1112.6(3) Li5Si5K258.27(18)
O1Si1C2112.1(4) Li5Si5K352.98(19)
O1Si1C3111.6(4) Li7Si5K255.06(19)
C1Si1K168.2(3) Li7Si5K358.07(18)
C1Si1C2106.0(6) Li7Si5Li565.6(3)
C1Si1C3105.0(4) K2Si6K565.92(5)
C2Si1K1140.5(5) O12Si6K242.05(15)
C3Si1K1110.1(4) O12Si6K540.51(16)
C3Si1C2109.1(6) O12Si6C37113.5(3)
O2Si2K146.87(17) O12Si6C38111.2(3)
O2Si2C4112.3(3) O12Si6C39112.2(3)
O2Si2C5112.6(4) C37Si6K2121.6(3)
O2Si2C6111.6(4) C37Si6K5137.7(3)
C4Si2K168.0(3) C37Si6C39107.0(4)
C4Si2C5105.9(5) C38Si6K269.6(2)
C4Si2C6105.1(4) C38Si6K5114.2(3)
C5Si2K1140.8(5) C38Si6C37106.5(4)
C5Si2C6109.0(6) C38Si6C39105.9(4)
C6Si2K1109.9(4) C39Si6K2130.7(2)
O3Si3K146.97(17) C39Si6K573.1(2)
O3Si3C7112.0(3) K5Si7K266.04(6)
O3Si3C8111.6(4) O13Si7K240.75(15)
O3Si3C9113.5(4) O13Si7K542.42(16)
C7Si3K167.7(3) O13Si7C40111.5(3)
C7Si3C8104.6(4) O13Si7C41112.2(3)
C8Si3K1109.2(4) O13Si7C42113.0(3)
C9Si3K1141.5(5) C40Si7K2113.6(3)
C9Si3C7105.5(6) C40Si7K569.5(3)
C9Si3C8109.1(7) C41Si7K272.9(2)
O4Si4K146.91(16) C41Si7K5130.6(3)
O4Si4C10112.2(4) C41Si7C40105.4(4)
O4Si4C11112.5(4) C42Si7K2137.5(3)
O4Si4C12112.1(3) C42Si7K5121.6(3)
C10Si4K1109.8(4) C42Si7C40107.4(4)
C10Si4C11108.9(6) C42Si7C41107.0(4)
C11Si4K1141.1(5) K5Si8K496.99(5)
C12Si4K167.9(3) O14Si8K449.17(16)
C12Si4C10104.8(5) O14Si8K547.89(15)
C12Si4C11105.9(5) O14Si8C43112.6(3)
Si1O1K1108.5(2) O14Si8C44109.5(3)
Si1O1Li1137.2(5) O14Si8C45111.7(3)
Si1O1Li2134.3(4) O14Si8Li629.7(2)
Li1O1K182.5(4) O14Si8Li836.0(2)
Li2O1K182.5(4) C43Si8K4161.4(2)
Li2O1Li187.3(5) C43Si8K564.7(2)
Si2O2K1108.7(2) C43Si8C44107.9(4)
Si2O2Li1134.1(4) C43Si8C45106.1(4)
Si2O2Li4137.5(4) C43Si8Li6114.1(3)
Li1O2K182.3(4) C43Si8Li8105.8(3)
Li4O2K182.1(4) C44Si8K479.6(3)
Li4O2Li187.3(5) C44Si8K5125.1(3)
Si3O3K1108.6(2) C44Si8Li6130.6(3)
Si3O3Li3138.2(4) C44Si8Li879.0(3)
Si3O3Li4134.0(4) C45Si8K486.6(3)
Li3O3K182.1(3) C45Si8K5125.6(3)
Li3O3Li486.8(5) C45Si8C44109.0(4)
Li4O3K182.0(3) C45Si8Li683.5(3)
Si4O4K1108.6(2) C45Si8Li8142.4(3)
Si4O4Li2137.4(4) Li6Si8K452.89(19)
Si4O4Li3134.7(4) Li6Si8K558.41(17)
Li2O4K182.3(4) Li8Si8K458.07(19)
Li2O4Li386.8(5) Li8Si8K555.20(19)
Li3O4K181.9(3) Li8Si8Li665.7(3)
C13AO5K1127.3(10) K3Si9K596.79(6)
C16AO5K1126.3(11) O15Si9K347.88(15)
C16AO5C13A106.4(14) O15Si9K548.99(15)
C13BO5K1127.6(10) O15Si9C46109.9(3)
C16BO5K1127.2(10) O15Si9C47110.9(3)
C16BO5C13B105.1(13) O15Si9C48112.0(3)
C17O6C20107.4(7) O15Si9Li636.4(2)
C17O6Li1125.7(7) O15Si9Li729.3(2)
C20O6Li1126.3(7) C46Si9K3125.4(3)
C21O7Li2126.3(6) C46Si9K579.9(3)
C24O7C21105.0(7) C46Si9C47108.8(4)
C24O7Li2127.6(7) C46Si9Li679.2(3)
C25O8Li3125.9(6) C46Si9Li7130.9(3)
C28O8C25105.1(6) C47Si9K3125.4(3)
C28O8Li3128.1(6) C47Si9K586.1(3)
C29O9Li4126.4(6) C47Si9Li6142.0(3)
C32O9C29106.2(7) C47Si9Li783.4(3)
C32O9Li4126.9(7) C48Si9K364.1(2)
C33O10Li1114.2(7) C48Si9K5160.6(2)
C33O10Li2115.0(7) C48Si9C46107.8(4)
C33O10Li3118.2(7) C48Si9C47107.2(4)
C33O10Li4117.4(7) C48Si9Li6105.1(3)
Li2O10Li178.7(5) C48Si9Li7113.5(3)
Li2O10Li4127.6(5) Li6Si9K355.23(19)
Li3O10Li1127.6(5) Li6Si9K558.10(18)
Li3O10Li279.2(5) Li6Si9Li765.6(2)
Li3O10Li478.5(5) Li7Si9K357.96(17)
Li4O10Li178.7(5) Li7Si9K552.94(18)
Si1C1K181.7(3) K3Si10K465.95(4)
Si2C4K182.0(2) O16Si10K342.19(16)
Si3C7K182.0(3) O16Si10K440.38(15)
Si4C12K181.8(3) O16Si10C49113.7(3)
C18C17O6105.9(12) O16Si10C50112.2(3)
C17C18C19107.0(13) O16Si10C51111.9(3)
C20C19C18103.9(12) C49Si10K3121.7(3)
O6C20C19103.7(10) C49Si10K4137.9(3)
C22C21O7109.1(11) C49Si10C50106.6(4)
C21C22C23105.0(12) C49Si10C51106.2(4)
C24C23C22107.2(13) C50Si10K3131.0(3)
C23C24O7106.1(11) C50Si10K473.2(2)
C26C25O8108.6(11) C51Si10K370.2(3)
C25C26C27104.5(11) C51Si10K4114.5(3)
C28C27C26107.9(12) C51Si10C50105.7(4)
C27C28O8106.5(10) K4Si11K366.05(5)
C30C29O9107.1(11) O17Si11K340.53(15)
C29C30C31106.0(11) O17Si11K442.27(16)
C32C31C30103.6(11) O17Si11C52112.3(3)
C31C32O9104.5(10) O17Si11C53111.6(3)
O1Li1K161.4(3) O17Si11C54113.3(3)
O1Li1O2117.8(6) C52Si11K373.1(2)
O1Li1O6115.1(6) C52Si11K4130.9(3)
O1Li1O1096.4(5) C52Si11C53105.6(4)
O1Li1Li246.3(4) C52Si11C54106.8(4)
O1Li1Li4121.2(6) C53Si11K3114.2(3)
O2Li1K161.4(3) C53Si11K469.8(3)
O2Li1O6112.4(6) C53Si11C54106.7(4)
O2Li1O1096.5(5) C54Si11K3137.6(3)
O2Li1Li2121.4(6) C54Si11K4121.5(3)
O2Li1Li446.2(4) K4Si12K296.97(6)
O6Li1K1163.3(6) O18Si12K249.20(14)
O6Li1O10116.1(6) O18Si12K447.85(14)
O6Li1Li2125.1(6) O18Si12C55111.9(3)
O6Li1Li4122.9(6) O18Si12C56109.9(3)
O10Li1K180.5(4) O18Si12C57112.6(3)
O10Li1Li250.5(4) O18Si12Li536.3(2)
O10Li1Li450.6(4) O18Si12Li829.4(2)
Li2Li1K165.8(4) C55Si12K287.2(3)
Li2Li1Li490.0(5) C55Si12K4125.4(3)
Li4Li1K165.5(4) C55Si12C56108.8(4)
O1Li2K161.4(3) C55Si12Li5143.1(3)
O1Li2O4117.9(6) C55Si12Li884.0(3)
O1Li2O7112.8(6) C56Si12K279.6(3)
O1Li2O1096.8(5) C56Si12K4125.6(3)
O1Li2Li146.4(4) C56Si12Li579.3(3)
O1Li2Li3121.1(6) C56Si12Li8130.7(3)
O4Li2K161.5(3) C57Si12K2161.4(2)
O4Li2O7114.7(6) C57Si12K464.7(2)
O4Li2O1096.3(5) C57Si12C55105.6(4)
O4Li2Li1121.5(6) C57Si12C56107.9(4)
O4Li2Li346.6(4) C57Si12Li5105.7(3)
O7Li2K1163.4(6) C57Si12Li8114.1(3)
O7Li2O10116.0(6) Li5Si12K258.18(19)
O7Li2Li1123.0(6) Li5Si12K455.28(19)
O7Li2Li3125.1(6) Li5Si12Li865.6(3)
O10Li2K180.6(4) Li8Si12K252.90(17)
O10Li2Li150.8(4) Li8Si12K458.18(18)
O10Li2Li350.1(4) K2O11K3144.59(14)
Li1Li2K165.8(4) Si5O11K2107.9(2)
Li3Li2K165.5(3) Si5O11K3107.3(2)
Li3Li2Li189.7(5) Si5O11Li5125.6(4)
O3Li3K161.8(3) Si5O11Li7114.4(3)
O3Li3O4118.1(6) Li5O11K286.5(3)
O3Li3O8114.6(6) Li5O11K376.1(3)
O3Li3O1097.6(5) Li5O11Li7119.8(4)
O3Li3Li2122.3(5) Li7O11K279.1(3)
O3Li3Li446.8(4) Li7O11K383.1(3)
O4Li3K161.7(3) K5O12K296.24(13)
O4Li3O8111.6(6) Si6O12K2114.4(2)
O4Li3O1096.9(5) Si6O12K5116.5(2)
O4Li3Li246.6(4) Si6O12Li7145.5(4)
O4Li3Li4122.0(5) Li7O12K286.3(3)
O8Li3K1162.8(6) Li7O12K586.3(3)
O8Li3O10115.9(6) K2O13K596.00(13)
O8Li3Li2122.4(5) Si7O13K2116.3(2)
O8Li3Li4125.5(6) Si7O13K5114.1(2)
O10Li3K181.1(3) Si7O13Li8146.1(4)
O10Li3Li250.7(4) Li8O13K286.0(3)
O10Li3Li451.2(4) Li8O13K586.6(3)
Li2Li3K166.0(3) K5O14K4144.56(14)
Li4Li3K165.9(3) Si8O14K4107.2(2)
Li4Li3Li290.5(5) Si8O14K5108.1(2)
O2Li4K161.7(3) Si8O14Li6125.3(4)
O2Li4O3118.4(6) Si8O14Li8114.8(4)
O2Li4O9114.8(6) Li6O14K475.9(3)
O2Li4O1096.8(5) Li6O14K586.8(3)
O2Li4Li146.5(4) Li6O14Li8119.7(5)
O2Li4Li3121.6(6) Li8O14K482.9(3)
O3Li4K161.7(3) Li8O14K579.3(3)
O3Li4O9112.4(6) K3O15K5144.62(14)
O3Li4O1096.4(5) Si9O15K3107.96(19)
O3Li4Li1121.7(6) Si9O15K5107.21(19)
O3Li4Li346.4(4) Si9O15Li6114.2(3)
O9Li4K1163.6(6) Si9O15Li7126.1(3)
O9Li4O10115.6(6) Li6O15K379.3(3)
O9Li4Li1124.7(6) Li6O15K583.0(3)
O9Li4Li3122.6(5) Li7O15K386.2(3)
O10Li4K180.7(3) Li7O15K576.3(3)
O10Li4Li150.7(4) Li7O15Li6119.5(4)
O10Li4Li350.3(4) K4O16K396.17(13)
Li1Li4K165.9(3) Si10O16K3114.4(2)
Li3Li4K165.8(3) Si10O16K4116.7(2)
Li3Li4Li189.9(5) Si10O16Li6145.0(4)
C14AC13AO5109.1(19) Li6O16K386.9(3)
C13AC14AC15A101(2) Li6O16K486.1(3)
C16AC15AC14A107(2) K3O17K496.07(13)
C15AC16AO5107(2) Si11O17K3116.7(2)
C14BC13BO5109.0(19) Si11O17K4114.4(2)
C13BC14BC15B106(2) Si11O17Li5145.2(4)
C16BC15BC14B102(2) Li5O17K386.2(3)
C15BC16BO5111(2) Li5O17K486.6(3)
Si5K2Si1294.47(5) K4O18K2144.70(14)
Si6K2Si581.71(5) Si12O18K2107.05(18)
Si6K2Si788.39(6) Si12O18K4108.04(18)
Si6K2Si12158.09(5) Si12O18Li5114.1(4)
Si7K2Si5156.75(6) Si12O18Li8125.8(4)
Si7K2Si1286.90(6) Li5O18K283.0(3)
O11K2Si524.11(8) Li5O18K479.4(3)
O11K2Si686.21(8) Li8O18K276.0(3)
O11K2Si7134.78(10) Li8O18K486.6(3)
O11K2Si1282.01(8) Li8O18Li5119.9(5)
O11K2O1867.02(10) C58O19K2128.8(5)
O11K2Li533.95(18) C61O19K2124.4(6)
O11K2Li736.30(18) C61O19C58106.1(7)
O11K2Li882.3(2) C62O20K3124.2(6)
O12K2Si573.19(10) C65O20K3129.2(6)
O12K2Si623.53(8) C65O20C62106.1(8)
O12K2Si789.45(10) C66O21K4123.9(6)
O12K2Si12134.95(9) C69O21K4130.1(5)
O12K2O1169.33(11) C69O21C66105.6(7)
O12K2O18111.21(11) C70O22K5124.4(7)
O12K2O19132.63(17) C73O22K5129.9(6)
O12K2Li595.70(19) C73O22C70105.1(8)
O12K2Li735.60(18) Si7C40K579.9(2)
O12K2Li889.4(2) Si9C48K386.0(3)
O13K2Si5135.47(10) O19C58C59104.9(9)
O13K2Si690.41(11) C58C59C60108.2(11)
O13K2Si722.99(9) C61C60C59103.3(9)
O13K2Si1277.15(11) O19C61C60108.7(11)
O13K2O11112.15(14) O20C62C63107.7(11)
O13K2O1282.31(13) C62C63C64104.2(10)
O13K2O1868.82(13) C65C64C63105.9(12)
O13K2O19121.72(18) O20C65C64106.0(10)
O13K2Li596.1(2) C67C66O21107.1(11)
O13K2Li789.2(2) C66C67C68105.1(10)
O13K2Li835.8(2) C69C68C67106.1(11)
O18K2Si585.98(9) O21C69C68107.1(10)
O18K2Si6134.50(9) C71C70O22109.3(12)
O18K2Si786.10(10) C70C71C72103.7(11)
O18K2Si1223.75(8) C73C72C71106.0(12)
O18K2Li534.46(18) O22C73C72106.8(10)
O18K2Li781.62(17) K3Li5K2119.8(3)
O18K2Li835.35(19) K3Li5K478.3(2)
O19K2Si5101.99(15) K3Li5Li763.1(2)
O19K2Si6109.93(15) K3Li5Li8106.7(3)
O19K2Si7101.15(16) K4Li5K2119.0(3)
O19K2Si1291.98(15) K4Li5Li7106.0(3)
O19K2O11122.84(17) K4Li5Li862.7(2)
O19K2O18115.45(16) Si5Li5K270.2(2)
O19K2Li5118.4(2) Si5Li5K375.0(2)
O19K2Li7147.9(2) Si5Li5K4152.4(4)
O19K2Li8135.0(2) Si5Li5Li755.0(2)
Li5K2Si551.56(18) Si5Li5Li8118.9(3)
Li5K2Si6116.89(18) Si12Li5K273.5(2)
Li5K2Si7117.30(19) Si12Li5K3153.0(3)
Li5K2Si1248.29(17) Si12Li5K474.7(2)
Li7K2Si549.94(18) Si12Li5Si5131.5(3)
Li7K2Si657.20(16) Si12Li5Li7123.7(4)
Li7K2Si7107.21(18) Si12Li5Li859.1(3)
Li7K2Si12104.06(16) O11Li5K259.5(3)
Li7K2Li560.2(2) O11Li5K368.2(3)
Li8K2Si5106.22(19) O11Li5K4133.9(5)
Li8K2Si6108.33(18) O11Li5Si524.78(19)
Li8K2Si757.15(19) O11Li5Si12132.4(5)
Li8K2Si1251.86(18) O11Li5O18118.4(5)
Li8K2Li560.5(3) O11Li5Li730.3(3)
Li8K2Li774.9(2) O11Li5Li897.1(4)
Si10K3Si981.70(6) O17Li5K2176.0(5)
Si10K3Si1188.36(7) O17Li5K357.9(3)
Si11K3Si9156.82(6) O17Li5K458.0(3)
O11K3Si985.99(8) O17Li5Si5111.3(4)
O11K3Si10134.55(10) O17Li5Si12107.1(4)
O11K3Si1186.20(8) O17Li5O11120.2(5)
O11K3C48109.79(15) O17Li5O18116.1(5)
O11K3Li535.63(18) O17Li5Li7120.7(5)
O11K3Li682.02(19) O17Li5Li8120.5(5)
O11K3Li734.28(17) O18Li5K262.5(3)
O15K3Si924.17(8) O18Li5K3131.8(4)
O15K3Si1086.18(10) O18Li5K464.1(3)
O15K3Si11134.80(9) O18Li5Si5132.6(4)
O15K3O1167.02(10) O18Li5Si1229.6(2)
O15K3C4854.02(15) O18Li5Li798.4(4)
O15K3Li582.6(2) O18Li5Li829.6(3)
O15K3Li636.78(19) Li7Li5K256.8(2)
O15K3Li734.03(17) Li7Li5Li871.4(3)
O16K3Si973.33(11) Li8Li5K256.2(2)
O16K3Si1023.43(9) K3Li6K5118.5(3)
O16K3Si1189.34(10) K3Li6Li762.4(2)
O16K3O11111.33(14) K3Li6Li8105.7(3)
O16K3O1569.43(13) K4Li6K378.4(2)
O16K3O20132.68(17) K4Li6K5120.2(3)
O16K3C4881.77(17) K4Li6Li7106.5(3)
O16K3Li589.4(2) K4Li6Li863.2(2)
O16K3Li635.21(18) Si8Li6K3152.8(3)
O16K3Li795.7(2) Si8Li6K475.3(2)
O17K3Si9135.72(11) Si8Li6K570.4(2)
O17K3Si1090.18(10) Si8Li6Li7119.0(3)
O17K3Si1122.76(9) Si8Li6Li855.5(2)
O17K3O1169.22(12) Si9Li6K374.4(2)
O17K3O15112.37(12) Si9Li6K4152.8(3)
O17K3O1682.12(13) Si9Li6K573.2(2)
O17K3O20121.54(17) Si9Li6Si8131.3(3)
O17K3C48162.07(17) Si9Li6Li759.1(2)
O17K3Li535.87(19) Si9Li6Li8123.5(3)
O17K3Li689.1(2) O14Li6K3134.1(4)
O17K3Li796.20(18) O14Li6K468.7(3)
O20K3Si9101.97(16) O14Li6K559.5(3)
O20K3Si10110.03(15) O14Li6Si825.00(19)
O20K3Si11101.09(16) O14Li6Si9132.1(4)
O20K3O11115.30(17) O14Li6O15118.1(5)
O20K3O15122.86(18) O14Li6Li796.9(4)
O20K3C4875.6(2) O14Li6Li830.6(3)
O20K3Li5134.8(2) O15Li6K363.9(3)
O20K3Li6148.1(2) O15Li6K4131.9(4)
O20K3Li7118.6(2) O15Li6K562.2(3)
C48K3Si929.85(13) O15Li6Si8132.5(4)
C48K3Si1078.02(15) O15Li6Si929.42(19)
C48K3Si11163.65(14) O15Li6Li729.8(2)
Li5K3Si9106.54(19) O15Li6Li898.2(4)
Li5K3Si10108.26(18) O16Li6K357.9(3)
Li5K3Si1156.91(18) O16Li6K458.1(3)
Li5K3C48136.1(2) O16Li6K5175.8(5)
Li5K3Li675.1(3) O16Li6Si8111.8(4)
Li5K3Li760.5(2) O16Li6Si9106.8(4)
Li6K3Si950.34(18) O16Li6O14120.9(5)
Li6K3Si1056.72(16) O16Li6O15115.7(5)
Li6K3Si11106.90(18) O16Li6Li7120.1(4)
Li6K3C4873.2(2) O16Li6Li8121.0(5)
Li6K3Li760.6(2) Li7Li6K556.2(2)
Li7K3Si951.77(15) Li8Li6K557.0(2)
Li7K3Si10116.80(18) Li8Li6Li771.1(3)
Li7K3Si11117.09(16) K2Li7K3119.5(3)
Li7K3C4877.6(2) K2Li7Li563.0(2)
Si10K4Si886.92(6) K2Li7Li6106.2(3)
Si10K4Si12156.79(5) K5Li7K278.5(2)
Si11K4Si8158.00(6) K5Li7K3120.0(3)
Si11K4Si1088.44(7) K5Li7Li5107.1(3)
Si11K4Si1281.71(7) K5Li7Li663.0(2)
Si12K4Si894.38(5) Si5Li7K275.0(2)
O14K4Si823.68(8) Si5Li7K373.7(2)
O14K4Si1086.18(9) Si5Li7K5153.5(3)
O14K4Si11134.49(10) Si5Li7Si9131.3(3)
O14K4Si1285.88(8) Si5Li7Li559.4(2)
O14K4Li581.9(2) Si5Li7Li6124.2(3)
O14K4Li635.47(19) Si9Li7K2152.6(3)
O14K4Li834.54(18) Si9Li7K370.27(19)
O16K4Si877.38(11) Si9Li7K574.8(2)
O16K4Si1022.88(8) Si9Li7Li5119.3(3)
O16K4Si1190.22(10) Si9Li7Li655.3(2)
O16K4Si12135.53(10) O11Li7K264.6(3)
O16K4O1469.12(12) O11Li7K362.6(3)
O16K4O1782.25(13) O11Li7K5132.7(4)
O16K4O18112.23(12) O11Li7Si529.56(19)
O16K4O21121.26(16) O11Li7Si9132.7(4)
O16K4Li589.3(2) O11Li7Li529.9(2)
O16K4Li635.85(19) O11Li7Li698.9(4)
O16K4Li896.27(19) O12Li7K258.1(3)
O17K4Si8135.06(10) O12Li7K3176.6(5)
O17K4Si1089.50(11) O12Li7K557.9(3)
O17K4Si1123.33(9) O12Li7Si5107.1(4)
O17K4Si1273.24(11) O12Li7Si9110.7(4)
O17K4O14111.38(14) O12Li7O11116.5(5)
O17K4O1869.39(14) O12Li7O15119.8(5)
O17K4O21132.61(17) O12Li7Li5121.0(4)
O17K4Li535.4(2) O12Li7Li6120.7(4)
O17K4Li689.7(2) O15Li7K2134.5(4)
O17K4Li895.5(2) O15Li7K359.8(3)
O18K4Si881.97(9) O15Li7K568.1(3)
O18K4Si10134.79(9) O15Li7Si5132.7(4)
O18K4Si1186.15(10) O15Li7Si924.63(18)
O18K4Si1224.11(8) O15Li7O11119.0(5)
O18K4O1466.97(10) O15Li7Li597.7(4)
O18K4Li536.5(2) O15Li7Li630.7(3)
O18K4Li682.53(18) Li5Li7K356.5(2)
O18K4Li833.72(18) Li5Li7Li671.7(3)
O21K4Si891.95(15) Li6Li7K357.0(2)
O21K4Si10100.69(15) K2Li8K4120.4(3)
O21K4Si11110.04(15) K2Li8K578.5(2)
O21K4Si12102.42(15) K2Li8Li563.3(2)
O21K4O14115.37(17) K2Li8Li6107.4(3)
O21K4O18123.27(17) K5Li8K4119.1(3)
O21K4Li5148.2(2) K5Li8Li5106.4(3)
O21K4Li6134.4(2) K5Li8Li662.9(2)
O21K4Li8118.9(2) Si8Li8K2153.1(3)
Li5K4Si8104.31(19) Si8Li8K473.4(2)
Li5K4Si10107.24(18) Si8Li8K574.6(2)
Li5K4Si1156.85(18) Si8Li8Si12131.3(3)
Li5K4Si1249.98(18) Si8Li8Li5124.0(4)
Li5K4Li860.2(3) Si8Li8Li658.9(2)
Li6K4Si851.77(18) Si12Li8K275.2(2)
Li6K4Si1056.96(17) Si12Li8K470.4(2)
Li6K4Si11108.42(18) Si12Li8K5152.9(3)
Li6K4Si12106.44(17) Si12Li8Li555.2(2)
Li6K4Li575.3(2) Si12Li8Li6119.4(4)
Li6K4Li860.6(2) O13Li8K258.1(3)
Li8K4Si848.51(17) O13Li8K4176.7(5)
Li8K4Si10117.30(17) O13Li8K558.1(3)
Li8K4Si11116.51(19) O13Li8Si8106.7(4)
Li8K4Si1251.40(17) O13Li8Si12111.3(4)
Si6K5Si8156.80(6) O13Li8O14115.9(5)
Si7K5Si688.34(5) O13Li8O18120.6(5)
Si7K5Si881.75(5) O13Li8Li5121.2(5)
O12K5Si622.98(9) O13Li8Li6120.9(5)
O12K5Si790.10(11) O14Li8K2132.5(4)
O12K5Si8135.46(10) O14Li8K462.5(3)
O12K5O1382.19(12) O14Li8K564.2(3)
O12K5O14112.25(14) O14Li8Si829.2(2)
O12K5O1569.06(13) O14Li8Si12132.8(4)
O12K5O22121.43(17) O14Li8Li599.1(4)
O12K5C4095.93(18) O14Li8Li629.7(3)
O12K5Li696.5(2) O18Li8K268.7(3)
O12K5Li735.84(18) O18Li8K459.7(3)
O12K5Li889.0(2) O18Li8K5134.6(5)
O13K5Si689.58(9) O18Li8Si8132.4(4)
O13K5Si723.53(9) O18Li8Si1224.84(19)
O13K5Si873.07(9) O18Li8O14118.8(5)
O13K5O1469.15(11) O18Li8Li530.5(3)
O13K5O15111.20(12) O18Li8Li697.6(4)
O13K5O22132.82(18) Li5Li8K457.1(2)
O13K5C4053.95(15) Li6Li8K456.2(2)
O13K5Li695.36(19) Li6Li8Li571.9(3)

 

Table 6 Torsion Angles for 3162p21c.
ABCDAngle/˚ ABCDAngle/˚
K1Si1O1Li1-99.1(7) K4Si10O16K3-111.1(3)
K1Si1O1Li297.7(6) K4Si10O16Li6125.9(7)
K1Si2O2Li197.6(6) K4Si11O17K3111.0(3)
K1Si2O2Li4-98.9(7) K4Si11O17Li5-122.6(7)
K1Si3O3Li3-99.2(7) K4Si12O18K2176.1(2)
K1Si3O3Li496.9(6) K4Si12O18Li586.2(4)
K1Si4O4Li2-99.1(6) K4Si12O18Li8-99.1(4)
K1Si4O4Li397.2(6) K4O14Li6K347.2(5)
K1O1Li1O2-25.4(6) K4O14Li6K5148.83(14)
K1O1Li1O6-161.7(6) K4O14Li6Si8-101.2(3)
K1O1Li1O1075.5(4) K4O14Li6Si9159.1(6)
K1O1Li1Li282.8(4) K4O14Li6O15127.1(5)
K1O1Li1Li428.2(6) K4O14Li6O16-26.4(5)
K1O1Li2O425.4(6) K4O14Li6Li7105.1(3)
K1O1Li2O7162.7(6) K4O14Li6Li873.1(4)
K1O1Li2O10-75.4(4) K4O16Li6K3-96.41(12)
K1O1Li2Li1-82.8(4) K4O16Li6Si855.2(3)
K1O1Li2Li3-28.5(6) K4O16Li6Si9-155.1(3)
K1O2Li1O125.4(6) K4O16Li6O1429.2(5)
K1O2Li1O6162.8(6) K4O16Li6O15-124.9(5)
K1O2Li1O10-75.4(4) K4O16Li6Li7-91.5(4)
K1O2Li1Li2-28.3(5) K4O16Li6Li8-6.6(4)
K1O2Li1Li4-82.4(4) K4O17Li5K396.32(13)
K1O2Li4O3-25.4(6) K4O17Li5Si5151.4(3)
K1O2Li4O9-162.1(6) K4O17Li5Si12-58.8(3)
K1O2Li4O1075.6(4) K4O17Li5O11125.6(6)
K1O2Li4Li182.6(4) K4O17Li5O18-28.4(5)
K1O2Li4Li328.6(6) K4O17Li5Li790.3(4)
K1O3Li3O4-26.4(5) K4O17Li5Li85.0(4)
K1O3Li3O8-161.2(6) K4O18Li8K2149.02(15)
K1O3Li3O1075.6(4) K4O18Li8K5102.4(5)
K1O3Li3Li227.8(6) K4O18Li8Si8-10.9(6)
K1O3Li3Li482.4(3) K4O18Li8Si12-109.9(3)
K1O3Li4O225.4(6) K4O18Li8O13176.2(6)
K1O3Li4O9163.1(6) K4O18Li8O1421.3(5)
K1O3Li4O10-75.9(3) K4O18Li8Li575.7(4)
K1O3Li4Li1-28.7(6) K4O18Li8Li643.3(3)
K1O3Li4Li3-82.5(4) K4O21C66C67143.8(10)
K1O4Li2O1-25.4(6) K4O21C69C68-142.6(10)
K1O4Li2O7-161.9(6) K5Si6O12K2111.1(3)
K1O4Li2O1075.7(4) K5Si6O12Li7-126.6(7)
K1O4Li2Li128.3(6) K5Si7O13K2-110.4(3)
K1O4Li2Li382.3(3) K5Si7O13Li8123.1(7)
K1O4Li3O326.5(5) K5Si8O14K4-176.3(2)
K1O4Li3O8162.5(6) K5Si8O14Li699.1(5)
K1O4Li3O10-76.0(3) K5Si8O14Li8-86.3(4)
K1O4Li3Li2-82.7(4) K5Si9O15K3-176.1(2)
K1O4Li3Li4-28.0(6) K5Si9O15Li6-90.0(4)
K1O5C13AC14A-171(2) K5Si9O15Li785.3(4)
K1O5C16AC15A-166(2) K5Si9C48K310.2(9)
K1O5C13BC14B-171(3) K5O12Li7K296.52(12)
K1O5C16BC15B-169(3) K5O12Li7Si5155.8(3)
Si1O1Li1K1109.1(6) K5O12Li7Si9-55.4(3)
Si1O1Li1O283.8(9) K5O12Li7O11125.5(5)
Si1O1Li1O6-52.5(10) K5O12Li7O15-30.0(5)
Si1O1Li1O10-175.4(4) K5O12Li7Li591.7(4)
Si1O1Li1Li2-168.1(7) K5O12Li7Li65.7(4)
Si1O1Li1Li4137.3(6) K5O13Li8K2-96.27(13)
Si1O1Li2K1-108.6(5) K5O13Li8Si859.2(3)
Si1O1Li2O4-83.1(8) K5O13Li8Si12-152.0(3)
Si1O1Li2O754.1(9) K5O13Li8O1429.3(5)
Si1O1Li2O10176.0(4) K5O13Li8O18-126.3(6)
Si1O1Li2Li1168.7(7) K5O13Li8Li5-90.6(4)
Si1O1Li2Li3-137.0(6) K5O13Li8Li6-4.1(4)
Si2O2Li1K1-108.7(5) K5O14Li6K3-101.6(5)
Si2O2Li1O1-83.4(8) K5O14Li6K4-148.83(14)
Si2O2Li1O654.1(8) K5O14Li6Si8110.0(4)
Si2O2Li1O10175.9(4) K5O14Li6Si910.3(5)
Si2O2Li1Li2-137.0(6) K5O14Li6O15-21.7(5)
Si2O2Li1Li4168.9(7) K5O14Li6O16-175.2(5)
Si2O2Li4K1109.2(6) K5O14Li6Li7-43.8(3)
Si2O2Li4O383.8(8) K5O14Li6Li8-75.7(4)
Si2O2Li4O9-52.9(10) K5O15Li7K2-46.0(5)
Si2O2Li4O10-175.2(4) K5O15Li7K3-149.02(14)
Si2O2Li4Li1-168.2(7) K5O15Li7Si5-160.4(6)
Si2O2Li4Li3137.8(6) K5O15Li7Si9101.5(4)
Si3O3Li3K1109.2(6) K5O15Li7O11-127.8(5)
Si3O3Li3O482.8(8) K5O15Li7O1227.1(5)
Si3O3Li3O8-52.0(10) K5O15Li7Li5-105.4(3)
Si3O3Li3O10-175.2(4) K5O15Li7Li6-73.6(4)
Si3O3Li3Li2137.0(6) K5O22C70C71-142.0(9)
Si3O3Li3Li4-168.4(7) K5O22C73C72142.0(10)
Si3O3Li4K1-108.2(5) Si5O11Li5K2-109.6(4)
Si3O3Li4O2-82.8(8) Si5O11Li5K3101.5(4)
Si3O3Li4O954.9(8) Si5O11Li5K4148.1(4)
Si3O3Li4O10175.9(4) Si5O11Li5Si12-99.2(6)
Si3O3Li4Li1-136.9(5) Si5O11Li5O1775.0(7)
Si3O3Li4Li3169.3(6) Si5O11Li5O18-131.6(5)
Si4O4Li2K1109.2(5) Si5O11Li5Li7175.1(7)
Si4O4Li2O183.8(8) Si5O11Li5Li8-153.3(3)
Si4O4Li2O7-52.7(9) Si5O11Li7K2104.8(3)
Si4O4Li2O10-175.1(4) Si5O11Li7K3-105.9(3)
Si4O4Li2Li1137.5(5) Si5O11Li7K5147.4(4)
Si4O4Li2Li3-168.5(7) Si5O11Li7Si9-101.1(5)
Si4O4Li3K1-108.3(5) Si5O11Li7O1277.7(6)
Si4O4Li3O3-81.8(7) Si5O11Li7O15-126.6(5)
Si4O4Li3O854.2(8) Si5O11Li7Li5-175.6(6)
Si4O4Li3O10175.7(4) Si5O11Li7Li6-151.3(3)
Si4O4Li3Li2169.1(6) Si6O12Li7K2-129.5(6)
Si4O4Li3Li4-136.3(6) Si6O12Li7K5134.0(6)
O1Si1C1K1-15.6(3) Si6O12Li7Si5-70.2(7)
O2Si2C4K1-15.7(3) Si6O12Li7Si978.6(7)
O3Si3C7K1-15.9(3) Si6O12Li7O11-100.5(7)
O4Si4C12K1-16.2(3) Si6O12Li7O15104.0(7)
O5C13AC14AC15A-22(4) Si6O12Li7Li5-134.4(5)
O5C13BC14BC15B-22(5) Si6O12Li7Li6139.7(5)
O6C17C18C19-12(2) Si7O13Li8K2133.8(7)
O7C21C22C23-9(2) Si7O13Li8K5-130.0(6)
O8C25C26C27-10(2) Si7O13Li8Si8-70.8(7)
O9C29C30C31-9(2) Si7O13Li8Si1278.1(7)
C1Si1O1K120.0(4) Si7O13Li8O14-100.7(7)
C1Si1O1Li1-79.0(7) Si7O13Li8O18103.7(8)
C1Si1O1Li2117.7(7) Si7O13Li8Li5139.4(5)
C2Si1O1K1139.5(6) Si7O13Li8Li6-134.1(6)
C2Si1O1Li140.4(9) Si8O14Li6K3148.5(4)
C2Si1O1Li2-122.8(8) Si8O14Li6K4101.2(3)
C2Si1C1K1-138.5(5) Si8O14Li6K5-110.0(4)
C3Si1O1K1-97.8(4) Si8O14Li6Si9-99.7(5)
C3Si1O1Li1163.2(7) Si8O14Li6O15-131.7(4)
C3Si1O1Li2-0.1(8) Si8O14Li6O1674.9(7)
C3Si1C1K1106.0(4) Si8O14Li6Li7-153.7(3)
C4Si2O2K120.1(4) Si8O14Li6Li8174.3(7)
C4Si2O2Li1117.8(6) Si9O15Li7K2-147.5(4)
C4Si2O2Li4-78.8(7) Si9O15Li7K3109.5(4)
C5Si2O2K1139.5(6) Si9O15Li7K5-101.5(4)
C5Si2O2Li1-122.9(8) Si9O15Li7Si598.1(6)
C5Si2O2Li440.6(9) Si9O15Li7O11130.8(5)
C5Si2C4K1-138.9(5) Si9O15Li7O12-74.3(7)
C6Si2O2K1-97.5(4) Si9O15Li7Li5153.1(3)
C6Si2O2Li10.1(7) Si9O15Li7Li6-175.1(7)
C6Si2O2Li4163.5(7) Si10O16Li6K3130.1(6)
C6Si2C4K1105.8(4) Si10O16Li6K4-133.5(6)
C7Si3O3K120.3(4) Si10O16Li6Si8-78.3(7)
C7Si3O3Li3-78.9(7) Si10O16Li6Si971.4(7)
C7Si3O3Li4117.3(6) Si10O16Li6O14-104.4(7)
C8Si3O3K1-96.6(4) Si10O16Li6O15101.6(7)
C8Si3O3Li3164.2(7) Si10O16Li6Li7135.0(5)
C8Si3O3Li40.4(7) Si10O16Li6Li8-140.1(5)
C8Si3C7K1105.1(4) Si11O17Li5K3-133.9(6)
C9Si3O3K1139.6(6) Si11O17Li5K4129.7(6)
C9Si3O3Li340.4(9) Si11O17Li5Si5-78.9(7)
C9Si3O3Li4-123.4(8) Si11O17Li5Si1270.9(7)
C9Si3C7K1-139.9(5) Si11O17Li5O11-104.6(7)
C10Si4O4K1-96.8(4) Si11O17Li5O18101.4(7)
C10Si4O4Li2164.1(7) Si11O17Li5Li7-139.9(5)
C10Si4O4Li30.3(7) Si11O17Li5Li8134.7(6)
C10Si4C12K1105.7(4) Si12O18Li8K2-101.1(3)
C11Si4O4K1140.0(6) Si12O18Li8K4109.9(3)
C11Si4O4Li240.9(9) Si12O18Li8K5-147.8(4)
C11Si4O4Li3-122.9(8) Si12O18Li8Si898.9(6)
C11Si4C12K1-139.3(5) Si12O18Li8O13-74.0(7)
C12Si4O4K120.7(4) Si12O18Li8O14131.1(5)
C12Si4O4Li2-78.4(7) Si12O18Li8Li5-174.4(7)
C12Si4O4Li3117.9(6) Si12O18Li8Li6153.1(3)
C17O6C20C19-36.2(15) O13Si7C40K5-6.2(3)
C17C18C19C20-9(2) O15Si9C48K30.3(3)
C18C19C20O626.9(19) O19C58C59C6017.2(16)
C20O6C17C1830.3(17) O20C62C63C6420.3(17)
C21O7C24C23-28.3(18) O21C66C67C6817.0(17)
C21C22C23C24-9(3) O22C70C71C72-17.8(17)
C22C23C24O723(2) C34Si5O11K2-118.9(3)
C24O7C21C2223.2(18) C34Si5O11K364.9(4)
C25O8C28C27-28.1(17) C34Si5O11Li5-20.2(6)
C25C26C27C28-8(3) C34Si5O11Li7155.2(5)
C26C27C28O822(2) C35Si5O11K20.3(3)
C28O8C25C2623.4(18) C35Si5O11K3-175.8(3)
C29O9C32C31-36.7(15) C35Si5O11Li599.1(5)
C29C30C31C32-13(2) C35Si5O11Li7-85.5(5)
C30C31C32O929.5(18) C36Si5O11K2120.9(3)
C32O9C29C3028.4(17) C36Si5O11K3-55.2(3)
Li1O1Li2K182.8(4) C36Si5O11Li5-140.3(5)
Li1O1Li2O4108.2(7) C36Si5O11Li735.1(5)
Li1O1Li2O7-114.6(7) C37Si6O12K2-111.8(4)
Li1O1Li2O107.3(5) C37Si6O12K5137.1(4)
Li1O1Li2Li354.3(7) C37Si6O12Li710.5(8)
Li1O2Li4K1-82.6(4) C38Si6O12K28.3(4)
Li1O2Li4O3-108.1(7) C38Si6O12K5-102.8(4)
Li1O2Li4O9115.2(7) C38Si6O12Li7130.6(7)
Li1O2Li4O10-7.0(5) C39Si6O12K2126.7(3)
Li1O2Li4Li3-54.0(7) C39Si6O12K515.6(4)
Li1O6C17C18-141.3(14) C39Si6O12Li7-111.0(7)
Li1O6C20C19135.4(12) C40Si7O13K2-101.7(3)
Li2O1Li1K1-82.8(4) C40Si7O13K58.6(4)
Li2O1Li1O2-108.1(7) C40Si7O13Li8131.7(7)
Li2O1Li1O6115.5(7) C41Si7O13K216.2(4)
Li2O1Li1O10-7.3(5) C41Si7O13K5126.6(3)
Li2O1Li1Li4-54.6(7) C41Si7O13Li8-110.3(7)
Li2O4Li3K182.7(4) C41Si7C40K5-128.1(3)
Li2O4Li3O3109.2(7) C42Si7O13K2137.3(4)
Li2O4Li3O8-114.8(6) C42Si7O13K5-112.4(4)
Li2O4Li3O106.7(5) C42Si7O13Li810.7(8)
Li2O4Li3Li454.7(7) C42Si7C40K5118.0(3)
Li2O7C21C22-145.7(15) C43Si8O14K4-176.1(3)
Li2O7C24C23140.4(15) C43Si8O14K50.2(4)
Li3O3Li4K182.5(4) C43Si8O14Li699.4(5)
Li3O3Li4O2107.9(7) C43Si8O14Li8-86.1(5)
Li3O3Li4O9-114.4(6) C44Si8O14K4-56.1(3)
Li3O3Li4O106.6(5) C44Si8O14K5120.2(3)
Li3O3Li4Li153.8(7) C44Si8O14Li6-140.7(5)
Li3O4Li2K1-82.3(3) C44Si8O14Li833.9(5)
Li3O4Li2O1-107.7(7) C45Si8O14K464.7(4)
Li3O4Li2O7115.8(6) C45Si8O14K5-119.0(3)
Li3O4Li2O10-6.6(5) C45Si8O14Li6-19.9(6)
Li3O4Li2Li1-54.0(7) C45Si8O14Li8154.7(5)
Li3O8C25C26-146.3(14) C46Si9O15K3-120.2(3)
Li3O8C28C27141.3(15) C46Si9O15K555.8(3)
Li4O2Li1K182.4(4) C46Si9O15Li6-34.2(5)
Li4O2Li1O1107.8(7) C46Si9O15Li7141.1(5)
Li4O2Li1O6-114.8(6) C46Si9C48K3121.4(3)
Li4O2Li1O107.0(5) C47Si9O15K3119.4(3)
Li4O2Li1Li254.1(7) C47Si9O15K5-64.6(4)
Li4O3Li3K1-82.4(3) C47Si9O15Li6-154.6(5)
Li4O3Li3O4-108.8(7) C47Si9O15Li720.7(6)
Li4O3Li3O8116.4(7) C47Si9C48K3-121.6(3)
Li4O3Li3O10-6.7(5) C48Si9O15K3-0.4(3)
Li4O3Li3Li2-54.6(7) C48Si9O15K5175.7(3)
Li4O9C29C30-143.2(13) C48Si9O15Li685.7(5)
Li4O9C32C31134.9(11) C48Si9O15Li7-99.0(5)
C13AO5C16AC15A14(4) C49Si10O16K3111.7(4)
C13AC14AC15AC16A32(5) C49Si10O16K4-137.2(4)
C14AC15AC16AO5-26(5) C49Si10O16Li6-11.3(8)
C16AO5C13AC14A8(4) C50Si10O16K3-127.3(3)
C13BO5C16BC15B10(5) C50Si10O16K4-16.1(4)
C13BC14BC15BC16B28(6) C50Si10O16Li6109.8(7)
C14BC15BC16BO5-21(6) C51Si10O16K3-8.7(4)
C16BO5C13BC14B10(4) C51Si10O16K4102.5(4)
K2Si5O11K3-176.1(2) C51Si10O16Li6-131.6(7)
K2Si5O11Li598.8(5) C52Si11O17K3-16.0(4)
K2Si5O11Li7-85.9(4) C52Si11O17K4-127.0(3)
K2Si6O12K5-111.1(3) C52Si11O17Li5110.5(7)
K2Si6O12Li7122.3(7) C53Si11O17K3102.4(4)
K2Si7O13K5110.4(3) C53Si11O17K4-8.6(4)
K2Si7O13Li8-126.5(8) C53Si11O17Li5-131.2(7)
K2Si7C40K5-50.5(2) C54Si11O17K3-137.2(4)
K2Si12O18K4-176.1(2) C54Si11O17K4111.9(4)
K2Si12O18Li5-89.9(4) C54Si11O17Li5-10.7(8)
K2Si12O18Li884.8(4) C55Si12O18K2-65.3(4)
K2O11Li5K3-148.87(15) C55Si12O18K4118.6(3)
K2O11Li5K4-102.3(6) C55Si12O18Li5-155.2(5)
K2O11Li5Si5109.6(4) C55Si12O18Li819.5(6)
K2O11Li5Si1210.4(6) C56Si12O18K255.6(3)
K2O11Li5O17-175.4(6) C56Si12O18K4-120.5(3)
K2O11Li5O18-22.0(5) C56Si12O18Li5-34.3(5)
K2O11Li5Li7-75.3(4) C56Si12O18Li8140.4(5)
K2O11Li5Li8-43.7(3) C57Si12O18K2175.9(3)
K2O11Li7K3149.24(14) C57Si12O18K4-0.2(4)
K2O11Li7K542.5(4) C57Si12O18Li586.0(5)
K2O11Li7Si5-104.8(3) C57Si12O18Li8-99.3(5)
K2O11Li7Si9154.0(5) C58O19C61C6030.1(15)
K2O11Li7O12-27.1(4) C58C59C60C610.5(18)
K2O11Li7O15128.6(5) C59C60C61O19-18.3(17)
K2O11Li7Li579.5(4) C61O19C58C59-28.4(14)
K2O11Li7Li6103.8(3) C62O20C65C6430.5(14)
K2O12Li7K5-96.52(12) C62C63C64C65-1.6(19)
K2O12Li7Si559.3(3) C63C64C65O20-17.5(17)
K2O12Li7Si9-151.9(3) C65O20C62C63-32.3(15)
K2O12Li7O1129.0(5) C66O21C69C6829.9(14)
K2O12Li7O15-126.5(5) C66C67C68C691.1(19)
K2O12Li7Li5-4.9(4) C67C68C69O21-19.1(17)
K2O12Li7Li6-90.8(4) C69O21C66C67-29.3(15)
K2O13Li8K596.27(13) C70O22C73C72-29.3(14)
K2O13Li8Si8155.5(3) C70C71C72C73-0.4(18)
K2O13Li8Si12-55.7(3) C71C72C73O2218.4(16)
K2O13Li8O14125.6(5) C73O22C70C7130.0(15)
K2O13Li8O18-30.0(6) Li5Si5O11K2-98.8(5)
K2O13Li8Li55.6(4) Li5Si5O11K385.1(4)
K2O13Li8Li692.2(4) Li5Si5O11Li7175.3(6)
K2O18Li8K4-149.02(15) Li5Si12O18K289.9(4)
K2O18Li8K5-46.7(5) Li5Si12O18K4-86.2(4)
K2O18Li8Si8-160.0(6) Li5Si12O18Li8174.7(6)
K2O18Li8Si12101.1(3) Li5O11Li7K2-79.5(4)
K2O18Li8O1327.1(5) Li5O11Li7K369.7(4)
K2O18Li8O14-127.8(6) Li5O11Li7K5-37.0(7)
K2O18Li8Li5-73.3(4) Li5O11Li7Si5175.6(6)
K2O18Li8Li6-105.7(3) Li5O11Li7Si974.5(7)
K2O19C58C59142.5(10) Li5O11Li7O12-106.7(6)
K2O19C61C60-141.4(9) Li5O11Li7O1549.1(8)
K3Si5O11K2176.1(2) Li5O11Li7Li624.3(6)
K3Si5O11Li5-85.1(4) Li5O18Li8K273.3(4)
K3Si5O11Li790.2(4) Li5O18Li8K4-75.7(4)
K3Si9O15K5176.1(2) Li5O18Li8K526.6(8)
K3Si9O15Li686.1(4) Li5O18Li8Si8-86.7(7)
K3Si9O15Li7-98.7(5) Li5O18Li8Si12174.4(7)
K3Si10O16K4111.1(3) Li5O18Li8O13100.4(7)
K3Si10O16Li6-123.0(7) Li5O18Li8O14-54.5(7)
K3Si11O17K4-111.0(3) Li5O18Li8Li6-32.5(5)
K3Si11O17Li5126.4(8) Li6Si8O14K484.6(4)
K3O11Li5K2148.87(15) Li6Si8O14K5-99.1(5)
K3O11Li5K446.6(5) Li6Si8O14Li8174.6(6)
K3O11Li5Si5-101.5(4) Li6Si9O15K3-86.1(4)
K3O11Li5Si12159.3(6) Li6Si9O15K590.0(4)
K3O11Li5O17-26.5(5) Li6Si9O15Li7175.3(7)
K3O11Li5O18126.9(6) Li6Si9C48K338.1(3)
K3O11Li5Li773.5(4) Li6O15Li7K227.6(8)
K3O11Li5Li8105.2(3) Li6O15Li7K3-75.4(4)
K3O11Li7K2-149.24(14) Li6O15Li7K573.6(4)
K3O11Li7K5-106.7(5) Li6O15Li7Si5-86.8(7)
K3O11Li7Si5105.9(3) Li6O15Li7Si9175.1(7)
K3O11Li7Si94.8(5) Li6O15Li7O11-54.2(7)
K3O11Li7O12-176.4(5) Li6O15Li7O12100.7(6)
K3O11Li7O15-20.6(5) Li6O15Li7Li5-31.8(6)
K3O11Li7Li5-69.7(4) Li7Si5O11K285.9(4)
K3O11Li7Li6-45.4(3) Li7Si5O11K3-90.2(4)
K3O15Li7K2103.0(5) Li7Si5O11Li5-175.3(6)
K3O15Li7K5149.02(14) Li7Si9O15K398.7(5)
K3O15Li7Si5-11.4(5) Li7Si9O15K5-85.3(4)
K3O15Li7Si9-109.5(4) Li7Si9O15Li6-175.3(7)
K3O15Li7O1121.2(5) Li7Si9C48K3-31.4(3)
K3O15Li7O12176.2(5) Li7O11Li5K275.3(4)
K3O15Li7Li543.6(3) Li7O11Li5K3-73.5(4)
K3O15Li7Li675.4(4) Li7O11Li5K4-27.0(8)
K3O16Li6K496.41(12) Li7O11Li5Si5-175.1(7)
K3O16Li6Si8151.6(3) Li7O11Li5Si1285.7(7)
K3O16Li6Si9-58.7(3) Li7O11Li5O17-100.1(7)
K3O16Li6O14125.6(5) Li7O11Li5O1853.4(7)
K3O16Li6O15-28.5(5) Li7O11Li5Li831.6(5)
K3O16Li6Li74.9(4) Li8Si8O14K4-90.0(4)
K3O16Li6Li889.8(4) Li8Si8O14K586.3(4)
K3O17Li5K4-96.32(13) Li8Si8O14Li6-174.6(6)
K3O17Li5Si555.1(3) Li8Si12O18K2-84.8(4)
K3O17Li5Si12-155.2(3) Li8Si12O18K499.1(4)
K3O17Li5O1129.3(5) Li8Si12O18Li5-174.7(6)
K3O17Li5O18-124.7(5) Li8O14Li6K3-25.9(8)
K3O17Li5Li7-6.0(4) Li8O14Li6K4-73.1(4)
K3O17Li5Li8-91.4(4) Li8O14Li6K575.7(4)
K3O20C62C63140.1(9) Li8O14Li6Si8-174.3(7)
K3O20C65C64-141.4(11) Li8O14Li6Si986.0(7)
K4Si8O14K5176.3(2) Li8O14Li6O1554.0(7)
K4Si8O14Li6-84.6(4) Li8O14Li6O16-99.5(6)
K4Si8O14Li890.0(4) Li8O14Li6Li732.0(5)

 

Table 7 Hydrogen Atom Coordinates (Å×104) and Isotropic Displacement Parameters (Å2×103) for 3162p21c.
AtomxyzU(eq)
H1A362214686422132
H1B449911906398132
H1C430420376519132
H2A530016247085229
H2B54518416905229
H2C51418107241229
H3A3670-1537066180
H3B4082-2166747180
H3C3213866769180
H4A350036146430131
H4B383544696398131
H4C297943386521131
H5A342552357149233
H5B399154636881233
H5C433951737193233
H6A515236607069178
H6B521940766750178
H6C491232076771178
H7A138635066425135
H7B51938126394135
H7C68129626518135
H8A143351257062180
H8B90052396773180
H8C175749126737180
H9A-13341557242243
H9B-32433987052243
H9C-42242316903243
H10A-11914267058185
H10B-2318766774185
H10C8817346730185
H11A1608-3087083229
H11B822-4476904229
H11C799-1387241229
H12A147813726421135
H12B12044936398135
H12C20476936521135
H17A449416267794161
H17B532018907667161
H18A558322318104300
H18B470021488208300
H19A449834158153242
H19B541435108107242
H20A446838237690129
H20B531834967619129
H2115491037714171
H222055-2918207294
H23A33924038157318
H23B3471-4958075318
H24A3523-2827620138
H24B37995597727138
H25A52333497814159
H25B-28831417661159
H26A-65527928073289
H26B20428508209289
H27A38215928152301
H27B-51215218061301
H28A-27914747615130
H28B55812007728130
H29A337044977801166
H29B311553167665166
H30A276056188090270
H30B287647518210270
H31A160944768150218
H31B147653908108218
H32A151353187625129
H32B118344697695129
H33A202426307950209
H33B291928487940209
H33C266019637937209
H13A155018905952220
H13B145828045909220
H14A173225685468145
H14B214017595551145
H15A329225395485147
H15B286833095599147
H16A348630815974230
H16B352921725907230
H13C312215625958175
H13D221014665910175
H14C246517255483175
H14D326221425572175
H15C252232945480175
H15D172028805567175
H16C188034335964244
H16D278835325912244
H34A508415254518115
H34B443711454726115
H34C52817754712115
H35A53138675390107
H35B448112645386107
H35C518116715557107
H36A487331455186123
H36B418127045022123
H36C485030964829123
H37A509639355762119
H37B491836316093119
H37C483030625813119
H38A582119356127123
H38B602424886402123
H38C670221066210123
H39A720338226214109
H39B639041346330109
H39C673844486022109
H40A93222873626795
H40B84472639637595
H41A777411556185109
H41B85699226343109
H41C83305346032109
H42A989410565764121
H42B1008113736092121
H42C1016419315809121
H43A977633585556111
H43B973041575378111
H43C1052636945394111
H44A1014418675197118
H44B1082122945020118
H44C1013718844840118
H45A987234944517117
H45B1057538074715117
H45C976242424721117
H46A803252765184119
H46B771358124920119
H46C819350504843119
H47A577547185294120
H47B614555625281120
H47C652949125486120
H48A66515294447986
H48B58285147464986
H49A807151584196120
H49B859950843905120
H49C895148954228120
H50A946532983975112
H50B911635983664112
H50C884327883799112
H51A713332973775121
H51B749340143599121
H51C692741583876121
H52A553216783970111
H52B590614173659111
H52C615122183809111
H53A785317143766119
H53B75259633602119
H53C80958763882119
H54A6925-1714198120
H54B6390-993908120
H54C6046924231120
H55A92113035296119
H55B8894-5585261119
H55C8467335480119
H56A6836-615135126
H56B7297-8145032126
H56C6928-2524786126
H57A83301784446105
H57B8735-5214618105
H57C91333114614105
H58A7406-5385852119
H58B6662-9765718119
H59A7080-7906313212
H59B6522-14336170212
H60A5511-7766321176
H60B6071-1286462176
H61A5339-1285913180
H61B56435976102180
H62A559443773908178
H62B484946574092178
H63A490639223544173
H63B424644843674173
H64A356634653825241
H64B421229043687241
H65A402433484278122
H65B446125984151122
H66A101143354090178
H66B94016443894178
H67A1014510563544180
H67B107905113694180
H68A1143815433836206
H68B1078420883692206
H69A1096516454279126
H69B1053823964148126
H70A933744066107176
H70B965051255917176
H71A948657726317171
H71B892451306459171
H72A790657946306208
H72B846764396167208
H73A761055435846124
H73B836759675719124

 

Table 8 Atomic Occupancy for 3162p21c.
AtomOccupancy AtomOccupancy AtomOccupancy
C13A0.5 H13A0.5 H13B0.5
C14A0.5 H14A0.5 H14B0.5
C15A0.5 H15A0.5 H15B0.5
C16A0.5 H16A0.5 H16B0.5
C13B0.5 H13C0.5 H13D0.5
C14B0.5 H14C0.5 H14D0.5
C15B0.5 H15C0.5 H15D0.5
C16B0.5 H16C0.5 H16D0.5

Experimental

Single crystals of C73H179K5Li8O22Si12 [3162p21c] were []. A suitable crystal was selected and [] on a diffractometer. The crystal was kept at 293(2) K during data collection. Using Olex2 [1], the structure was solved with the SIR2004 [2] structure solution program using Direct Methods and refined with the ShelXL [3] refinement package using Least Squares minimisation.

  1. Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341.
  2. Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G.L., De Caro, L., Giacovazzo, C., Polidori, G., Siliqi, D., Spagna, R. (2007). J. Appl. Cryst. 40, 609-613.
  3. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.

Crystal structure determination of [3162p21c]

Crystal Data for C73H179K5Li8O22Si12 (=1997.25 g/mol): monoclinic, space group P21/c (no. 14), a = 16.9979(7) Å, b = 16.9979(7) Å, c = 43.798(3) Å, β = 90.10(10)°, = 12654.5(11) Å3, Z = 4, T = 293(2) K, μ(MoKα) = 0.337 mm-1, Dcalc = 1.048 g/cm3, 80446 reflections measured (4.386° ≤ 2Θ ≤ 50°), 22024 unique (Rint = 0.0904, Rsigma = 0.0768) which were used in all calculations. The final R1 was 0.1012 (I > 2σ(I)) and wR2 was 0.3119 (all data).

Refinement model description

Number of restraints - 99, number of constraints - unknown.

Details:

1. Fixed Uiso
At 1.2 times of:
All C(H) groups, All C(H,H) groups
At 1.5 times of:
All C(H,H,H) groups
2. Rigid bond restraints
C70, C71, C72, C73
with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
C66, C67, C68, C69
with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
C59, C60
with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
C13A, C16A
with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
C14A, C15A
with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
O19, C58, H58B, C59, H59A, H59B, C60, H60A, H60B, C61, H61A, H61B
with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C26 ≈ C27: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
C70 ≈ C71 ≈ C72 ≈ C73: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
C66 ≈ C67 ≈ C68 ≈ C69: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08
C59 ≈ C60: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
C13A ≈ C16A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
C14A ≈ C15A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
Uanis(C61) ≈ Ueq, Uanis(C60) ≈ Ueq, Uanis(C59) ≈ Ueq, Uanis(C58)
≈ Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C14B) = Uanis(C13B)
4. Others
Fixed Sof: C13A(0.5) H13A(0.5) H13B(0.5) C14A(0.5) H14A(0.5) H14B(0.5)
C15A(0.5) H15A(0.5) H15B(0.5) C16A(0.5) H16A(0.5) H16B(0.5) C13B(0.5)
H13C(0.5) H13D(0.5) C14B(0.5) H14C(0.5) H14D(0.5) C15B(0.5) H15C(0.5)
H15D(0.5) C16B(0.5) H16C(0.5) H16D(0.5)
5.a Secondary CH2 refined with riding coordinates:
C17(H17A,H17B), C18(H18A,H18B), C19(H19A,H19B), C20(H20A,H20B), C23(H23A,
H23B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B),
C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B),
C13A(H13A,H13B), C14A(H14A,H14B), C15A(H15A,H15B), C16A(H16A,H16B), C13B(H13C,
H13D), C14B(H14C,H14D), C15B(H15C,H15D), C16B(H16C,H16D), C40(H40A,H40B),
C48(H48A,H48B), C58(H58A,H58B), C59(H59A,H59B), C60(H60A,H60B), C61(H61A,H61B),
C62(H62A,H62B), C63(H63A,H63B), C64(H64A,H64B), C65(H65A,H65B), C66(H66A,
H66B), C67(H67A,H67B), C68(H68A,H68B), C69(H69A,H69B), C70(H70A,H70B),
C71(H71A,H71B), C72(H72A,H72B), C73(H73A,H73B)
5.b Aromatic/amide H refined with riding coordinates:
C21(H21), C22(H22)
5.c Idealised Me refined as rotating group:
C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,
H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C),
C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C33(H33A,H33B,
H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,
H37B,H37C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C41(H41A,H41B,H41C),
C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,
H45C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C49(H49A,H49B,H49C), C50(H50A,
H50B,H50C), C51(H51A,H51B,H51C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C),
C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C56(H56A,H56B,H56C), C57(H57A,H57B,
H57C)

This report has been created with Olex2, compiled on 2018.04.03 svn.r3497 for OlexSys. Please let us know if there are any errors or if you would like to have additional features.