Дизайн и синтез металлоценов 4 группы - эффективных прекатализаторов гомо - и сополимеризации алкенов (1098265), страница 92
Текст из файла (страница 92)
Величины длин связей (d, Å) и валентных углов (ω) в молекуле 3.83.OMeSiMeOСвязьZr(1)-Cl(1)#1Zr(1)-Cl(1)Zr(1)-C(1)#1Zr(1)-C(1)Zr(1)-C(2)Zr(1)-C(2)#1Zr(1)-C(9)#1Zr(1)-C(9)Zr(1)-C(3)#1Zr(1)-C(3)Zr(1)-C(4)#1Zr(1)-C(4)Si(1)-C(26)Si(1)-C(26)#1Si(1)-C(1)#1Si(1)-C(1)O(1)-C(6)O(1)-C(25)C(1)-C(2)C(1)-C(9)C(2)-C(3)C(2)-C(10)C(3)-C(4)C(3)-H(3)C(4)-C(5)C(4)-C(9)C(5)-C(6)C(5)-C(11)C(6)-C(7)C(7)-C(8)C(7)-C(21)C(8)-C(9)C(8)-H(8)C(10)-H(10A)ZrCl23.83d [А]2.4257(13)2.4258(13)2.446(5)2.446(5)2.496(5)2.496(5)2.544(5)2.544(5)2.578(5)2.578(5)2.641(5)2.641(5)1.852(6)1.852(6)1.878(5)1.878(5)1.383(7)1.432(9)1.438(7)1.452(7)1.400(7)1.516(7)1.419(7)0.93001.422(7)1.429(7)1.373(7)1.481(7)1.442(8)1.354(8)1.545(9)1.416(7)0.93000.9600УголCl(1)#1-Zr(1)-Cl(1)Cl(1)#1-Zr(1)-C(1)#1Cl(1)-Zr(1)-C(1)#1Cl(1)#1-Zr(1)-C(1)Cl(1)-Zr(1)-C(1)C(1)#1-Zr(1)-C(1)Cl(1)#1-Zr(1)-C(2)Cl(1)-Zr(1)-C(2)C(1)#1-Zr(1)-C(2)C(1)-Zr(1)-C(2)Cl(1)#1-Zr(1)-C(2)#1Cl(1)-Zr(1)-C(2)#1C(1)#1-Zr(1)-C(2)#1C(1)-Zr(1)-C(2)#1C(2)-Zr(1)-C(2)#1Cl(1)#1-Zr(1)-C(9)#1Cl(1)-Zr(1)-C(9)#1C(1)#1-Zr(1)-C(9)#1C(1)-Zr(1)-C(9)#1C(2)-Zr(1)-C(9)#1C(2)#1-Zr(1)-C(9)#1Cl(1)#1-Zr(1)-C(9)Cl(1)-Zr(1)-C(9)C(1)#1-Zr(1)-C(9)C(1)-Zr(1)-C(9)C(2)-Zr(1)-C(9)C(2)#1-Zr(1)-C(9)C(9)#1-Zr(1)-C(9)Cl(1)#1-Zr(1)-C(3)#1Cl(1)-Zr(1)-C(3)#1C(1)#1-Zr(1)-C(3)#1C(1)-Zr(1)-C(3)#1C(2)-Zr(1)-C(3)#1C(2)#1-Zr(1)-C(3)#1ω [град]100.15(8)122.83(12)120.90(12)120.90(12)122.83(12)69.3(2)87.56(12)132.29(12)91.32(16)33.81(16)132.29(12)87.56(12)33.81(16)91.32(16)121.2(2)89.38(12)131.97(12)33.75(16)89.33(16)94.75(16)54.12(16)131.97(12)89.37(12)89.33(16)33.76(16)54.12(16)94.74(16)118.3(2)103.05(11)79.09(11)54.86(16)121.92(16)145.10(16)31.99(16)433приложениеC(10)-H(10B)C(10)-H(10C)C(11)-C(12)C(11)-C(16)C(12)-C(13)C(12)-H(12)C(13)-C(14)C(13)-H(13)C(14)-C(15)C(14)-C(17)C(15)-C(16)C(15)-H(15)C(16)-H(16)C(17)-C(28)C(17)-C(19)C(17)-C(20)C(17)-C(27)C(17)-C(29)C(17)-C(18)C(18)-H(18A)C(18)-H(18B)C(18)-H(18C)C(19)-H(19A)C(19)-H(19B)C(19)-H(19C)C(20)-H(20A)C(20)-H(20B)C(20)-H(20C)C(27)-H(27A)C(27)-H(27B)C(27)-H(27C)C(28)-H(28A)C(28)-H(28B)C(28)-H(28C)C(29)-H(29A)C(29)-H(29B)C(29)-H(29C)C(21)-C(31)C(21)-C(33)C(21)-C(32)C(21)-C(22)C(21)-C(24)C(21)-C(23)C(22)-H(22A)C(22)-H(22B)C(22)-H(22C)C(23)-H(23A)C(23)-H(23B)C(23)-H(23C)C(24)-H(24A)C(24)-H(24B)C(24)-H(24C)C(31)-H(31A)C(31)-H(31B)C(31)-H(31C)C(32)-H(32A)C(32)-H(32B)0.96000.96001.383(8)1.395(7)1.382(8)0.93001.380(7)0.93001.381(9)1.543(8)1.381(8)0.93000.93001.503(10)1.505(9)1.517(9)1.519(10)1.519(10)1.526(9)0.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96001.548(9)1.548(9)1.549(9)1.549(8)1.551(9)1.555(8)0.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.96000.9600C(9)#1-Zr(1)-C(3)#1C(9)-Zr(1)-C(3)#1Cl(1)#1-Zr(1)-C(3)Cl(1)-Zr(1)-C(3)C(1)#1-Zr(1)-C(3)C(1)-Zr(1)-C(3)C(2)-Zr(1)-C(3)C(2)#1-Zr(1)-C(3)C(9)#1-Zr(1)-C(3)C(9)-Zr(1)-C(3)C(3)#1-Zr(1)-C(3)Cl(1)#1-Zr(1)-C(4)#1Cl(1)-Zr(1)-C(4)#1C(1)#1-Zr(1)-C(4)#1C(1)-Zr(1)-C(4)#1C(2)-Zr(1)-C(4)#1C(2)#1-Zr(1)-C(4)#1C(9)#1-Zr(1)-C(4)#1C(9)-Zr(1)-C(4)#1C(3)#1-Zr(1)-C(4)#1C(3)-Zr(1)-C(4)#1Cl(1)#1-Zr(1)-C(4)Cl(1)-Zr(1)-C(4)C(1)#1-Zr(1)-C(4)C(1)-Zr(1)-C(4)C(2)-Zr(1)-C(4)C(2)#1-Zr(1)-C(4)C(9)#1-Zr(1)-C(4)C(9)-Zr(1)-C(4)C(3)#1-Zr(1)-C(4)C(3)-Zr(1)-C(4)C(4)#1-Zr(1)-C(4)C(26)-Si(1)-C(26)#1C(26)-Si(1)-C(1)#1C(26)#1-Si(1)-C(1)#1C(26)-Si(1)-C(1)C(26)#1-Si(1)-C(1)C(1)#1-Si(1)-C(1)C(6)-O(1)-C(25)C(2)-C(1)-C(9)C(2)-C(1)-Si(1)C(9)-C(1)-Si(1)C(2)-C(1)-Zr(1)C(9)-C(1)-Zr(1)Si(1)-C(1)-Zr(1)C(3)-C(2)-C(1)C(3)-C(2)-C(10)C(1)-C(2)-C(10)C(3)-C(2)-Zr(1)C(1)-C(2)-Zr(1)C(10)-C(2)-Zr(1)C(2)-C(3)-C(4)C(2)-C(3)-Zr(1)C(4)-C(3)-Zr(1)C(2)-C(3)-H(3)C(4)-C(3)-H(3)Zr(1)-C(3)-H(3)52.95(15)124.97(16)79.09(11)103.05(11)121.92(16)54.86(16)31.99(16)145.10(16)124.98(15)52.96(15)176.7(2)79.47(11)103.60(11)54.90(15)120.52(16)124.06(16)53.12(16)31.93(15)143.79(15)31.52(15)148.23(15)103.60(11)79.47(11)120.52(16)54.90(15)53.12(16)124.06(16)143.79(15)31.93(15)148.22(15)31.52(15)175.3(2)106.6(4)113.1(3)114.3(3)114.3(3)113.1(3)95.6(3)115.6(5)105.0(4)128.0(4)123.6(4)75.0(3)76.8(3)97.5(2)109.5(4)122.5(5)128.0(5)77.2(3)71.2(3)119.8(3)109.4(4)70.8(3)76.7(3)125.3125.3118.9434приложениеC(32)-H(32C)C(33)-H(33A)C(33)-H(33B)C(33)-H(33C)C(25)-H(25A)C(25)-H(25B)C(25)-H(25C)C(26)-H(26A)C(26)-H(26B)C(26)-H(26C)C(30)-Cl(14)C(30)-Cl(13)C(30)-Cl(11)C(30)-Cl(18)C(30)-Cl(19)C(30)-Cl(17)C(30)-Cl(16)C(30)-Cl(15)C(30)-Cl(12)C(30)-H(30C)C(30)-H(30B)C(30)-H(30A)Cl(17)-H(30B)УголC(1)-C(9)-Zr(1)C(2)-C(10)-H(10A)C(2)-C(10)-H(10B)H(10A)-C(10)-H(10B)C(2)-C(10)-H(10C)H(10A)-C(10)-H(10C)H(10B)-C(10)-H(10C)C(12)-C(11)-C(16)C(12)-C(11)-C(5)C(16)-C(11)-C(5)C(13)-C(12)-C(11)C(13)-C(12)-H(12)C(11)-C(12)-H(12)C(14)-C(13)-C(12)C(14)-C(13)-H(13)C(12)-C(13)-H(13)C(13)-C(14)-C(15)C(13)-C(14)-C(17)C(15)-C(14)-C(17)C(16)-C(15)-C(14)C(16)-C(15)-H(15)C(14)-C(15)-H(15)C(15)-C(16)-C(11)C(15)-C(16)-H(16)C(11)-C(16)-H(16)C(19)-C(17)-C(20)C(28)-C(17)-C(27)C(28)-C(17)-C(29)C(27)-C(17)-C(29)C(19)-C(17)-C(18)C(20)-C(17)-C(18)0.96000.96000.96000.96000.96000.96000.96000.96000.96000.96001.711(4)1.714(4)1.716(4)1.730(5)1.737(5)1.741(5)1.746(5)1.756(5)1.767(5)0.98000.95990.95981.7753ω [град]69.4(3)109.5109.5109.5109.5109.5109.5116.8(5)122.3(4)120.9(5)121.8(5)119.1119.1121.4(5)119.3119.3116.9(5)121.6(5)121.5(5)122.2(5)118.9118.9120.8(5)119.6119.6109.0(6)109.1(8)109.2(8)107.8(7)108.8(6)107.5(6)C(3)-C(4)-C(5)C(3)-C(4)-C(9)C(5)-C(4)-C(9)C(3)-C(4)-Zr(1)C(5)-C(4)-Zr(1)C(9)-C(4)-Zr(1)C(6)-C(5)-C(4)C(6)-C(5)-C(11)C(4)-C(5)-C(11)C(5)-C(6)-O(1)C(5)-C(6)-C(7)O(1)-C(6)-C(7)C(8)-C(7)-C(6)C(8)-C(7)-C(21)C(6)-C(7)-C(21)C(7)-C(8)-C(9)C(7)-C(8)-H(8)C(9)-C(8)-H(8)C(8)-C(9)-C(4)C(8)-C(9)-C(1)C(4)-C(9)-C(1)C(8)-C(9)-Zr(1)C(4)-C(9)-Zr(1)УголC(7)-C(21)-C(22)C(7)-C(21)-C(24)C(31)-C(21)-C(24)C(22)-C(21)-C(24)C(7)-C(21)-C(23)C(22)-C(21)-C(23)C(24)-C(21)-C(23)C(21)-C(22)-H(22A)C(21)-C(22)-H(22B)C(21)-C(22)-H(22C)C(21)-C(23)-H(23A)C(21)-C(23)-H(23B)C(21)-C(23)-H(23C)C(21)-C(24)-H(24A)C(21)-C(24)-H(24B)C(21)-C(24)-H(24C)C(21)-C(31)-H(31A)C(21)-C(31)-H(31B)C(21)-C(31)-H(31C)C(21)-C(32)-H(32A)C(21)-C(32)-H(32B)C(21)-C(32)-H(32C)C(21)-C(33)-H(33A)C(21)-C(33)-H(33B)C(21)-C(33)-H(33C)O(1)-C(25)-H(25A)O(1)-C(25)-H(25B)H(25A)-C(25)-H(25B)O(1)-C(25)-H(25C)H(25A)-C(25)-H(25C)H(25B)-C(25)-H(25C)132.7(5)106.6(4)120.7(4)71.8(3)124.4(3)70.3(3)117.4(5)122.0(5)120.6(4)119.8(5)122.9(5)117.2(5)118.1(5)120.6(5)121.2(5)121.8(5)119.1119.1118.6(5)131.8(5)109.4(4)124.2(3)77.8(3)ω [град]107.6(7)112.9(8)120.6(11)109.4(6)110.4(7)109.2(6)107.3(6)109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5435приложениеC(28)-C(17)-C(14)C(19)-C(17)-C(14)C(20)-C(17)-C(14)C(27)-C(17)-C(14)C(29)-C(17)-C(14)C(18)-C(17)-C(14)C(17)-C(18)-H(18A)C(17)-C(18)-H(18B)C(17)-C(18)-H(18C)C(17)-C(19)-H(19A)C(17)-C(19)-H(19B)C(17)-C(19)-H(19C)C(17)-C(20)-H(20A)C(17)-C(20)-H(20B)C(17)-C(20)-H(20C)C(17)-C(27)-H(27A)C(17)-C(27)-H(27B)C(17)-C(27)-H(27C)C(17)-C(28)-H(28A)C(17)-C(28)-H(28B)C(17)-C(28)-H(28C)C(17)-C(29)-H(29A)C(17)-C(29)-H(29B)C(17)-C(29)-H(29C)C(7)-C(21)-C(31)C(7)-C(21)-C(33)C(31)-C(21)-C(33)C(7)-C(21)-C(32)C(31)-C(21)-C(32)C(33)-C(21)-C(32)112.5(11)111.4(7)113.3(6)111.5(11)106.6(11)106.7(7)109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5111.5(9)108.0(9)109.5(7)109.8(9)108.8(7)109.2(7)Si(1)-C(26)-H(26A)Si(1)-C(26)-H(26B)H(26A)-C(26)-H(26B)Si(1)-C(26)-H(26C)H(26A)-C(26)-H(26C)H(26B)-C(26)-H(26C)Cl(14)-C(30)-Cl(13)Cl(13)-C(30)-Cl(11)Cl(14)-C(30)-Cl(19)Cl(18)-C(30)-Cl(19)Cl(18)-C(30)-Cl(17)Cl(19)-C(30)-Cl(17)Cl(14)-C(30)-Cl(16)Cl(17)-C(30)-Cl(16)Cl(14)-C(30)-Cl(15)Cl(19)-C(30)-Cl(15)Cl(16)-C(30)-Cl(15)Cl(13)-C(30)-Cl(12)Cl(11)-C(30)-Cl(12)Cl(15)-C(30)-Cl(12)Cl(18)-C(30)-H(30C)Cl(19)-C(30)-H(30C)Cl(17)-C(30)-H(30C)Cl(14)-C(30)-H(30B)Cl(16)-C(30)-H(30B)Cl(15)-C(30)-H(30B)Cl(12)-C(30)-H(30B)Cl(13)-C(30)-H(30A)Cl(11)-C(30)-H(30A)Cl(12)-C(30)-H(30A)109.5109.5109.5109.5109.5109.5109.1(4)115.9(3)105.9(8)112.7(4)112.5(4)111.6(4)113.4(3)109.7(7)112.9(4)103.3(9)109.4(3)112.2(3)110.8(3)107.8(5)106.5106.5106.5106.8107.6106.3125.8106.0105.5105.5436.