Диссертация (1150046), страница 22
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Сольват [Cd(DMA)2(DMF)4][Cd2I6]Кристаллографические параметрыФормулаC10H0.5Cd2I4N8O2Молярная масса997.08Температура/K293(2)СингониятриклиннаяПространственная группаP-1a/Å9.1132(9)b/Å11.8747(16)c/Å12.1457(16)α/°117.985(14)β/°101.777(10)γ/°92.739(9)Объем/Å31120.5(2)Z23ρрасч мг/мм2.955R-факторR1 = 0.0673, wR2 = 0.1154АтомI1I1I2АтомCd4Cd41Cd4Длины связейДлина/ÅАтом2.8499(8)N22.8698(10)N22.7322(8)O4АтомC11C7C8Длина/Å1.448(10)1.444(11)1.219(11)163O12O1O42O4O62O6I5I11C3C3Cd3Cd3Cd3Cd3Cd3Cd3Cd4Cd4O1N21N5N5N5O6C8N9N9N9N9C12C12C10C15C12N9C1C4C13C16C141.325(10)1.463(11)1.466(10)1.256(9)1.298(10)1.407(14)1.475(16)1.532(14)1.591(17)1.537(13)1-X,1-Y,1-Z; 2-X,1-Y,2-ZАтомCd4O12O12O1O12O1O42O12O1O42O4O12O1O42O4O62I5I5I2I5I2I1C312.246(6)2.246(5)2.279(6)2.279(6)2.303(6)2.303(6)2.7305(10)2.8698(10)1.255(9)1.332(10)АтомI1Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd4Cd4Cd4Cd4Cd4Cd4O1АтомCd41O1O42O42O4O4O4O62O62O62O62O6O6O6O6O6I2I1I1I11I11I11Cd3Валентные углыУгол/˚Атом85.49(2)C3179.999(1)C387.4(2)C1192.6(2)O192.6(2)C887.4(2)C12180.000(2)C1291.1(2)C1088.9(2)C1289.0(2)O491.0(2)C888.9(2)C891.1(2)C191.0(2)C889.0(2)C1179.999(2)C4117.05(3)C8111.79(3)C1110.29(3)C4114.30(3)C13106.54(3)O694.51(2)O6123.8(5)N5АтомN2N2N2C3O4N5N5N5O6C8N9N9N9N9N9N9N9N9N9N9C12C12C12АтомC11C7C7N2Cd3C10C15C15Cd3N9C1C4C4C13C13C13C16C16C16C16N5C14C14Угол/˚119.9(7)121.5(7)118.3(7)123.2(7)128.0(7)122.0(7)123.9(8)114.1(8)130.9(5)124.9(11)122.7(10)142.9(15)92.6(14)114.7(10)122.4(10)30.4(11)113.0(12)22.6(10)104.1(15)129.1(12)121.1(7)126.2(8)112.7(8)1-X,1-Y,1-Z; 2-X,1-Y,2-ZACd41Cd41Cd41O12O42O4O62BI1I1I1Cd3Cd3Cd3Cd3CCd4Cd4Cd4O1O1O1O1DI5I2I11C3C3C3C3Торсионные углыУгол/˚A-118.43(3)O12109.50(4)O10.0O42108(41)O4126.3(5)O62-53.7(5)Cd3-144.7(5)O4BCd3Cd3Cd3Cd3Cd3O4C8CO6O6O6O6O6C8N9DC12C12C12C12C12N9C1Угол/˚-44.2(7)135.8(7)43.2(7)-136.8(7)62(19)169.9(7)8.0(17)164O6Cd3C11C7O12O1O42O62O61Cd3O1N2N2Cd3Cd3Cd3Cd3Cd3O1C3C3C3O4O4O4O4O4C3N2O1O1C8C8C8C8C835.3(5)176.0(5)0.8(11)173.9(7)17.0(8)-163.0(8)-157(100)-74.2(8)105.8(8)O4O4O4Cd3Cd3C10C15C10C15C8C8C8O6O6N5N5N5N5N9N9N9C12C12C12C12C12C12C4C13C16N5C14O6O6C14C14167.8(19)-176.9(10)-15.1(18)176.4(5)-5.1(13)-1.4(12)-178.9(8)179.9(8)2.4(12)1-X,1-Y,1-Z; 2-X,1-Y,2-Z2.5.
Сольват [Cd(DMA)4(DMF)2][Cd2I6]Кристаллографические параметрыФормулаC22H50N6Cd3I6O6Молярная масса1593.28Температура/K100(2)СингонияtriclinicПространственная группаP-1a/Å8.9103(11)b/Å11.7875(11)c/Å12.6478(13)α/°117.666(10)β/°103.359(11)γ/°92.151(10)3Объем/Å1128.4(2)Z13ρрасч мг/мм2.345R-факторR1 = 0.0585, wR2 = 0.1004Атом АтомCd1O21Cd1O2Cd1O11Cd1O1Cd1O31Cd1O3I3Cd2I3Cd22Cd2I32Cd2I1Cd2I2O2C5O1C1O3C8O3C261Длины связейДлина /ÅАтом2.247(5)N22.247(5)N22.281(5)N22.281(5)N12.292(5)N12.292(5)N12.8462(9)C12.8376(7)N32.8375(7)N32.7232(9)N32.7203(7)C111.229(8)C101.246(8)N3A1.259(10)N3A1.229(5)C26АтомC5C7C6C1C3C4C2C8C10C9C8N3AC26C9AC11AДлина /Å1.315(8)1.460(8)1.458(9)1.327(9)1.449(10)1.461(9)1.495(11)1.380(12)1.461(10)1.422(12)1.488(14)1.514(17)1.388(19)1.495(19)1.50(2)-X,1-Y,-Z; 21-X,1-Y,1-Z165Атом Атом АтомO21Cd1O2O21Cd1O11O2Cd1O11O2Cd1O1O2Cd1O111O2Cd1O31O21Cd1O3O2Cd1O31O2Cd1O31O1Cd1O1O1Cd1O3O1Cd1O311O1Cd1O31O11Cd1O31O3Cd1O3Cd22I3Cd2I32Cd2I3I1Cd2I3I1Cd2I32I2Cd2I32I2Cd2I3I2Cd2I1C5O2Cd1C1O1Cd11Валентные углыАтом Атом Атом180.0(3)C8O3Cd189.78(17)C26O3Cd190.22(17)C5N2C790.22(17)C5N2C689.78(17)C6N2C785.41(18)C1N1C394.59(18)C1N1C494.59(18)C3N1C485.41(18)O2C5N2180.0(2)O1C1N187.38(18)O1C1C292.62(18)N1C1C287.38(18)C8N3C1092.62(18)C8N3C9180.0C9N3C1084.61(2)O3C8N395.39(2)O3C8C11111.33(3)N3C8C11113.49(3)C26 N3A C10107.82(2)C26 N3A C9A108.68(3)C9A N3A C10117.77(3)O3C26 N3A125.6(4)O3C26 C11A134.3(5)N3A C26 C11AУгол /˚Угол /˚141.7(6)119.3(14)119.3(6)122.9(6)117.4(6)121.6(6)123.1(7)115.3(7)123.7(6)121.4(7)122.9(7)115.8(6)122.7(8)119.8(7)117.5(7)120.2(9)121.6(9)118.2(8)166(3)93(3)100.8(15)126(3)107(2)114(3)-X,1-Y,-Z; 21-X,1-Y,1-Z2.6.
Сольват [Cd(DMSO)2(DMA)4][Cd2I6]Кристаллографические параметры.ФормулаC20H48Cd3I6N4O6S2Молярная масса1603.34Температура/K100(2)СингониятриклиннаяПространственная группаP-1a/Å10.6226(18)b/Å12.308(2)c/Å17.405(3)α/°87.732(14)β/°89.458(13)γ/°78.835(15)3Объем/Å2230.8(6)Z23ρрасч мг/мм2.387R-факторR1 = 0.0488, wR2 = 0.0752Длины связей166АтомI3I3I4I4I5I2I1Cd4Cd1Cd1Cd1Cd1Cd1Cd1Cd2Cd2Cd2Cd2Cd2Cd2S1S1S11АтомCd4Cd3Cd4Cd3Cd4Cd3Cd3I6O3O31O2O21O11O1O52O5O42O4O62O6O1C2C1Длина/Å2.8869(7)2.8810(7)2.8698(7)2.8680(7)2.7240(7)2.7247(7)2.7302(7)2.7352(7)2.269(4)2.269(4)2.301(4)2.301(4)2.254(4)2.254(4)2.262(4)2.262(4)2.282(4)2.282(4)2.297(3)2.297(3)1.521(4)1.770(5)1.790(5)АтомS2S2S2O5O3O2O6N2N2N2N4N4N4C13C8N3N3N3C4N1N1C6C18АтомO4C12C11C17C5C7C13C9C7C10C13C16C15C14C7C17C19C20N1C3C5C5C17Длина/Å1.523(4)1.795(5)1.788(5)1.265(6)1.303(8)1.260(6)1.257(6)1.471(7)1.317(7)1.471(7)1.331(6)1.466(7)1.479(6)1.500(7)1.519(8)1.327(7)1.463(7)1.478(7)1.466(7)1.501(8)1.280(8)1.516(8)1.509(7)2-X,2-Y,-Z; 2-X,2-Y,1-ZАтомCd3Cd3I4I5I5I5I6I6I4I2I2I2I1I1O31O3O31O3O31O2O11АтомI3I4Cd4Cd4Cd4Cd4Cd4Cd4Cd3Cd3Cd3Cd3Cd3Cd3Cd1Cd1Cd1Cd1Cd1Cd1Cd1АтомCd4Cd4I3I3I4I6I3I4I3I3I4I1I3I4O3O21O21O2O2O21O31Валентные углыУгол/˚Атом84.688(19)O4285.24(2)O494.94(2)O42107.71(2)O6114.83(2)O1115.65(2)O1114.69(2)C2107.33(2)O495.11(2)O4111.81(2)C11110.86(2)C17117.78(2)C5108.69(2)S2110.26(2)C7179.999(2)C1389.16(14)S190.84(14)C790.84(14)C789.16(14)C10180.00(11)C1391.66(14)C13АтомCd2Cd2Cd2Cd2S1S1S1S2S2S2O5O3O4O2O6O1N2N2N2N4N4АтомO62O6O6O62C2C1C1C12C11C12Cd2Cd1Cd2Cd1Cd2Cd1C9C10C9C16C15Угол/˚85.79(12)85.79(12)94.21(13)180.00(18)103.1(2)105.4(2)98.4(3)103.7(2)106.0(2)99.2(3)133.3(3)129.3(4)122.9(2)136.3(4)136.3(3)123.5(2)120.5(5)123.0(5)116.4(5)121.0(5)124.0(5)167O1O1O11O1O11O1O11O11O5O5O52O5O52O5O52O52O5O4O41Cd1Cd1Cd1Cd1Cd1Cd1Cd1Cd1Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2O31O3O3O21O2O2O21O1O52O42O42O4O4O62O62O6O6O42O6288.34(14)91.65(14)88.35(14)94.67(13)94.67(13)85.33(13)85.33(13)180.0179.999(1)88.38(13)91.62(13)91.62(13)88.38(13)87.54(13)92.46(13)87.54(13)92.46(13)180.000(2)94.21(13)C16O6O6N4C17C17C19O2O2N2C4C5C5O5O5N3O3N1N1N4C13C13C13N3N3N3C7C7C7N1N1N1C17C17C17C5C5C5C15N4C14C14C19C20C20N2C8C8C3C4C3N3C18C18C6O3C6114.9(4)119.7(5)121.5(5)118.6(5)124.7(5)120.2(5)115.1(4)120.7(5)120.9(5)118.4(5)116.3(5)123.6(6)120.1(6)120.4(5)121.3(5)118.3(5)121.4(6)119.4(6)119.1(6)2-X,2-Y,-Z; 2-X,2-Y,1-ZACd4Cd4Cd4Cd4Cd4Cd4Cd3Cd3Cd3Cd3Cd3Cd3Cd1Cd1Cd1Cd1Cd2Cd2Cd2Cd2O51O51O5O5O51O32BI3I3I3I4I4I4I3I3I3I4I4I4O3O3O2O2O5O5O6O6Cd2Cd2Cd2Cd2Cd2Cd1CCd3Cd3Cd3Cd3Cd3Cd3Cd4Cd4Cd4Cd4Cd4Cd4C5C5C7C7C17C17C13C13O5O4O4O6O6O3DI4I2I1I3I2I1I4I5I6I3I5I6N1C6N2C8N3C18N4C14C17S2S2C13C13C5Торсионные углыУгол/˚AB1.008(14)O2 Cd1-113.88(2)O22 Cd1114.42(2)O22 Cd1-1.014(14)O2 Cd1114.66(2)O22 Cd1-113.10(2)O61 Cd2-1.008(14)O6 Cd2-119.05(2)O6 Cd2110.64(2)O61 Cd21.011(14)O61 Cd2113.13(2)O1 Cd1-116.77(2)O12 Cd1-143.5(4)O12 Cd139.1(8)O1 Cd1176.3(4)O12 Cd1-5.4(9)C9N2150.4(4)C9N2-29.9(7)C12S2-172.4(3)C2S111.6(8)C4N1158(75)C4N195.2(2)C11S2-84.8(2)C16 N4-124.7(5)C16 N455.3(5)C10 N2-178(33)C10 N2CO3O3O2O1O1O5O5O4O4O6O3O3O2O2O1C7C7O4O1C5C5O4C13C13C7C7DC5C5C7S1S1C17C17S2S2C13C5C5C7C7S1O2C8Cd2Cd1O3C6Cd2O6C14O2C8Угол/˚-72.8(5)107.2(5)-7(19)-13.4(3)166.6(3)-114.8(5)65.2(5)7.5(2)-172.5(2)157(72)-158.1(5)21.9(5)34.6(5)-145.4(5)109(23)0.8(8)-177.6(5)173.9(3)-172.3(3)-177.0(5)0.4(9)-82.2(3)1.1(8)177.2(5)176.8(5)-1.6(8)168O3O32O32O3O4O41O41O4O411Cd1Cd1Cd1Cd1Cd2Cd2Cd2Cd2Cd2O2O2O1O1O5O5O4O6O6C7C7S1S1C17C17S2C13C13123.0(5)-57.0(5)-102.7(3)77.3(3)151.1(5)-28.9(5)12(23)143.9(5)-36.1(5)C1C15C15C19C19C20C20C3C3S1N4N4N3N3N3N3N1N1O1C13C13C17C17C17C17C5C5Cd1O6C14O5C18O5C18O3C685.0(3)-174.6(5)1.4(8)176.1(5)-3.7(8)-2.3(8)177.9(5)1.8(9)179.2(5)-X,2-Y,1-Z; 22-X,2-Y,-Z2.7.
Сольват [Cd(DMSO)4(DMF)2][Cd2I6]Кристаллографические параметрыФормулаC14H38Cd3I6N2O6S4Молярная масса1557.30Температура/K100.01(10)СингониямоноклиннаяПространственная группаP21/ca/Å7.3710(3)b/Å14.5607(6)c/Å19.2659(9)α/°90β/°98.517(4)γ/°903Объем/Å2044.95(15)Z23ρрасч мг/мм2.529R-факторR1 = 0.0539, wR2 = 0.0950АтомI1I1I2Cd3Cd3Cd3Cd3Cd3Cd3I4Cd51АтомCd51Cd5Cd5O12O1O2O22O42O4Cd5I11Длины связейДлина/ÅАтом2.8515(6)S62.8612(6)S62.7484(6)S62.275(5)S72.275(5)S72.253(4)S72.253(4)N32.312(5)N32.313(5)N32.7188(6)O42.8517(6)АтомO1C7C10O2C5C8C6C9C11C6Длина/Å1.533(5)1.781(7)1.778(7)1.526(4)1.782(6)1.777(7)1.304(10)1.442(9)1.466(9)1.211(9)АтомI1Угол/˚111.130(19)1-X,2-Y,1-Z; 2-X,1-Y,1-ZАтомCd51АтомI1АтомCd5Валентные углыУгол/˚Атом Атом82.164(18)I2Cd5169O1O12O1O12O1O2O2O22O22O2O22O22O2O2O42I11I21O12O42O4O4O42O1O12O12O1O22O4O42O4O42O4I1I11Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd3Cd5Cd5180.087.7(2)87.7(2)92.3(2)92.3(2)86.72(16)93.28(16)86.72(16)93.28(16)180.093.28(17)86.72(17)86.72(17)93.28(17)180.097.836(18)106.98(2)I4I4I4O1O1C10O2O2C8S6S7C6C6C9C6O4Cd5Cd5Cd5S6S6S6S7S7S7O1O2N3N3N3O4C6I1I11I2C7C10C7C5C8C5Cd3Cd3C9C11C11Cd3N3105.34(2)114.52(2)119.00(2)107.0(3)104.9(3)98.8(3)103.8(3)105.1(3)98.5(3)134.2(3)122.3(2)122.2(7)121.4(7)116.3(7)127.4(5)127.0(8)1-X,2-Y,1-Z; 2-X,1-Y,1-ZACd3C5C7C8BO4S7S6S7CC6O2O1O2DN3Cd3Cd3Cd3Торсионные углыУгол/˚A154.8(6)C9-163.9(3)C1041.1(5)C1193.2(4)BN3S6N3CC6O1C6DO4Cd3O4Угол/˚-2.2(12)-63.2(5)175.5(8)2.8.Сольват [Cd(DMSO)6][Cd(DMSO)I3]2(DX)Кристаллографические параметрыФормулаC46Cd4.5IO10S5Молярная масса1378.56Температура/K100.01(10)СингонияромбическаяПространственная группаPbcaa/Å17.7851(7)b/Å17.4675(5)c/Å17.3413(5)α/°90.00β/°90.00γ/°90.00Объем/Å35387.3(3)Z8ρрасч мг/мм33.399R-факторR1 = 0.1212, wR2 = 0.2294АтомI1АтомCd5Длина/Å2.7225(17)Длины связейАтомS2АтомC5Длина/Å1.78(2)170Cd2Cd2Cd2Cd2Cd2Cd2I3I4Cd5S1S1S1S2S212.292(11)2.292(11)2.241(13)2.241(13)2.258(14)2.258(14)2.7564(19)2.767(2)2.236(17)1.522(12)1.769(19)1.785(18)1.797(18)1.508(15)S3S3S3S4S4S4S4O3O3O5S8S8C18C4O2C1C19O5S8C3C22C18C4S8C3C22C42C1821.525(13)1.795(18)1.79(2)1.581(18)1.595(16)1.70(2)1.79(3)1.44(3)1.40(3)1.82(3)1.97(3)1.49(4)1.54(3)1.54(3)1-X,1-Y,1-Z; 21-X,1-Y,-ZАтомO11O21O2O21O2O21O21O2O21O2O261O26O26O261O261I1I1I3O5O5O5O1O1C6O26O26C51O1O11O2O21O26O261Cd5Cd5O5O1C6C14C2O26АтомCd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd5Cd5Cd5Cd5Cd5Cd5S1S1S1S2S2S2АтомO1O11O11O1O1O2O261O261O26O26O1O1O11O11O26I3I4I4I1I3I4C6C14C14C2C5C2Валентные углыУгол/˚Атом179.998(1)O288.0(5)O292.0(5)C1992.0(5)O588.0(5)O5179.999(2)O590.9(7)S889.1(7)S889.1(7)C390.9(7)S192.3(5)S387.7(5)C492.3(5)S487.7(5)S4179.998(1)S8115.15(6)S4116.09(7)S4114.40(6)O5100.6(4)C22104.8(6)C22103.1(7)C22106.3(9)S4106.3(8)O397.9(10)S8103.5(8)S2106.1(12)O397.1(11)АтомS3S3S3S4S4S4S4S4S4O1O2O3O5O5O5S8S8S8S8S8S8C3C18C22O26C4АтомC1C19C1S8C3C22C3C22C22Cd2Cd2C18Cd5S8Cd5O5C3C3S4O5C3S8C42S4Cd2C182Угол/˚104.1(9)104.2(10)98.6(9)70.1(11)102.9(10)103.3(14)73.5(10)51.9(14)103.5(15)135.1(7)120.8(8)110.2(17)117.5(11)55.3(8)144.5(11)54.6(9)55.6(8)84.9(11)70.7(15)105.4(17)103.6(15)50.9(8)110.6(18)57.4(11)123.9(8)108.9(17)1-X,1-Y,1-Z; 21-X,1-Y,-Z2.9.
Сольват {CdBr2(DMA)}n171Кристаллографические параметрыФормулаC42H0.25BrCd6N4O6Молярная масса1331.11Температура/K100.00(10)СингонияромбическаяПространственная группаPn21aa/Å18.6793(7)b/Å22.9603(6)c/Å3.96577(11)α/°90.00β/°90.00γ/°90.00Объем/Å31700.85(9)Z43ρрасч мг/мм5.198R-факторR1 = 0.0420, wR2 = 0.0554АтомCd1Cd1Cd1Cd1Cd1Cd1Cd2Cd2Cd2Cd2Cd2Cd2BrBr1АтомBr1Br4Br41Br5Br51O1Br1BrBr4Br6Br62O2Cd12Cd22Длина/Å2.7890(8)2.8182(7)2.8120(7)2.7167(7)2.6993(7)2.267(5)2.8337(7)2.7796(7)2.8081(8)2.7099(7)2.7202(8)2.257(5)2.7890(8)2.8337(7)Длины связейАтомBr4Br5Br6O1O2C1C2N3N3N3N4N4C6АтомCd12Cd12Cd21C8C7N4C7C7C9C10C5C8C8Длина/Å2.8121(7)2.6993(7)2.7203(8)1.239(8)1.226(8)1.481(9)1.509(10)1.337(8)1.467(8)1.457(8)1.453(8)1.333(8)1.521(9)+X,+Y,1+Z; 2+X,+Y,-1+ZАтомBr1Br1Br41Br5Br51Br51Br5Br5Br51Br51O1АтомCd1Cd1Cd1Cd1Cd1Cd1Cd1Cd1Cd1Cd1Cd1АтомBr4Br41Br4Br1Br1Br41Br4Br41Br4Br5Br1Валентные углыУгол/˚Атом85.38(2)O285.13(2)O289.56(2)O293.98(2)O293.76(2)Cd1288.38(2)Cd287.91(2)Cd2177.38(2)Cd12177.82(2)Cd294.15(2)Cd2173.54(12)Cd12АтомCd2Cd2Cd2Cd2BrBrBrBr4Br4Br4Br5АтомBr1Br4Br62Br6Cd22Cd12Cd22Cd1Cd12Cd1Cd1Угол/˚83.92(12)165.09(12)96.59(12)95.43(11)94.98(2)95.32(2)89.90(2)89.56(2)94.17(2)94.90(2)94.15(2)172O1O1O1O1BrBrBr4Br62Br6Br6Br62Br6Br62Br6O21Cd1Cd1Cd1Cd1Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Cd2Br4Br41Br5Br51Br1Br4Br1Br1BrBr1BrBr4Br4Br62Br89.22(11)91.30(12)89.35(12)91.51(12)89.90(2)85.38(2)84.73(2)178.35(2)177.49(2)87.69(2)88.59(2)93.74(2)94.49(2)93.83(2)84.96(11)Cd2C8C7C7C7C10C5C8C8O2O2N3O1O1N4Br6O1O2N3N3N3N4N4N4C7C7C7C8C8C8Cd21Cd1Cd2C9C10C9C1C1C5C2N3C2N4C6C693.82(2)138.6(4)138.0(5)118.2(5)126.2(5)115.6(5)115.4(6)118.7(6)125.9(6)121.3(7)120.7(6)117.9(6)120.7(6)121.9(6)117.4(6)+X,+Y,1+Z; 2+X,+Y,-1+Z2.10.