Дизайн и синтез металлоценов 4 группы - эффективных прекатализаторов гомо - и сополимеризации алкенов (1098265), страница 91
Текст из файла (страница 91)
Величины длин связей (d, Å) и валентных углов (ω) в молекуле 2.22.SiZrClNH3.53СвязьZr(1)-N(1)Zr(1)-Cl(1)Zr(1)-C(11)Zr(1)-C(32)Zr(1)-C(31)Zr(1)-C(12)Zr(1)-C(33)Zr(1)-C(22)Zr(1)-C(42)Zr(1)-C(13)Zr(1)-C(34)Zr(1)-C(14)Si(1)-C(30)Si(1)-C(50)Si(1)-C(31)Si(1)-C(11)N(1)-C(1)N(1)-H(1)C(1)-C(3)C(1)-C(2)C(1)-C(4)C(2)-H(2A)C(2)-H(2B)C(2)-H(2C)C(3)-H(3A)C(3)-H(3B)C(3)-H(3C)C(4)-H(4A)C(4)-H(4B)C(4)-H(4C)C(11)-C(22)C(11)-C(12)C(12)-C(13)C(12)-C(29)C(13)-C(14)C(13)-H(13)C(14)-C(15)C(14)-C(22)C(15)-C(16)C(15)-C(23)C(16)-C(20)d [А]2.036(3)2.4503(10)2.478(4)2.529(4)2.538(4)2.542(4)2.568(4)2.586(4)2.619(4)2.656(4)2.665(4)2.724(4)1.865(4)1.867(4)1.873(4)1.874(4)1.484(5)0.88001.517(6)1.515(6)1.531(6)0.98000.98000.98000.98000.98000.98000.98000.98000.98001.440(6)1.450(5)1.394(6)1.496(5)1.419(5)0.95001.421(6)1.445(5)1.385(5)1.480(5)1.431(5)УголN(1)-Zr(1)-Cl(1)N(1)-Zr(1)-C(11)Cl(1)-Zr(1)-C(11)N(1)-Zr(1)-C(32)Cl(1)-Zr(1)-C(32)C(11)-Zr(1)-C(32)N(1)-Zr(1)-C(31)Cl(1)-Zr(1)-C(31)C(11)-Zr(1)-C(31)C(32)-Zr(1)-C(31)N(1)-Zr(1)-C(12)Cl(1)-Zr(1)-C(12)C(11)-Zr(1)-C(12)C(32)-Zr(1)-C(12)C(31)-Zr(1)-C(12)N(1)-Zr(1)-C(33)Cl(1)-Zr(1)-C(33)C(11)-Zr(1)-C(33)C(32)-Zr(1)-C(33)C(31)-Zr(1)-C(33)C(12)-Zr(1)-C(33)N(1)-Zr(1)-C(22)Cl(1)-Zr(1)-C(22)C(11)-Zr(1)-C(22)C(32)-Zr(1)-C(22)C(31)-Zr(1)-C(22)C(12)-Zr(1)-C(22)C(33)-Zr(1)-C(22)N(1)-Zr(1)-C(42)Cl(1)-Zr(1)-C(42)C(11)-Zr(1)-C(42)C(32)-Zr(1)-C(42)C(31)-Zr(1)-C(42)C(12)-Zr(1)-C(42)C(33)-Zr(1)-C(42)C(22)-Zr(1)-C(42)N(1)-Zr(1)-C(13)Cl(1)-Zr(1)-C(13)C(11)-Zr(1)-C(13)C(32)-Zr(1)-C(13)C(31)-Zr(1)-C(13)ω [град]101.53(10)119.25(13)119.80(9)94.31(13)132.12(9)89.07(13)126.36(13)120.82(9)67.84(13)32.99(12)128.16(13)86.67(9)33.54(12)117.60(13)88.26(13)86.89(13)103.82(9)119.60(12)31.94(12)54.03(12)141.14(13)86.45(13)130.52(9)32.97(13)95.00(12)89.09(12)53.26(12)125.47(12)139.42(13)88.73(9)87.02(12)52.98(12)32.49(12)91.20(13)52.55(12)116.31(12)100.03(13)78.65(9)53.61(12)142.39(13)118.21(12)429приложениеC(16)-C(17)C(17)-C(18)C(17)-H(17A)C(17)-H(17B)C(18)-C(19)C(18)-H(18A)C(18)-H(18B)C(19)-C(20)C(19)-H(19A)C(19)-H(19B)C(20)-C(21)C(21)-C(22)C(21)-H(21)C(23)-C(28)C(23)-C(24)C(24)-C(25)C(24)-H(24)C(25)-C(26)C(25)-H(25)C(26)-C(27)C(26)-H(26)C(27)-C(28)C(27)-H(27)C(28)-H(28)C(29)-H(29A)C(29)-H(29B)C(29)-H(29C)C(30)-H(30A)C(30)-H(30B)C(30)-H(30C)C(31)-C(32)C(31)-C(42)C(32)-C(33)C(32)-C(49)C(33)-C(34)C(33)-H(33)C(34)-C(42)C(34)-C(35)C(35)-C(36)C(35)-C(43)C(36)-C(40)C(36)-C(37)C(37)-C(38)C(37)-H(37A)C(37)-H(37B)C(38)-C(39)C(38)-H(38A)C(38)-H(38B)C(39)-C(40)C(39)-H(39A)C(39)-H(39B)C(40)-C(41)C(41)-C(42)C(41)-H(41)C(43)-C(44)C(43)-C(48)C(44)-C(45)1.519(6)1.553(6)0.99000.99001.528(6)0.99000.99001.513(5)0.99000.99001.360(6)1.433(5)0.95001.389(6)1.406(5)1.382(6)0.95001.374(7)0.95001.363(6)0.95001.391(6)0.95000.95000.98000.98000.98000.98000.98000.98001.439(5)1.445(5)1.403(5)1.508(5)1.414(5)0.95001.444(5)1.445(5)1.359(6)1.480(5)1.431(6)1.528(5)1.533(6)0.99000.99001.519(6)0.99000.99001.502(6)0.99000.99001.367(5)1.429(6)0.95001.394(6)1.395(6)1.387(6)C(12)-Zr(1)-C(13)C(33)-Zr(1)-C(13)C(22)-Zr(1)-C(13)C(42)-Zr(1)-C(13)N(1)-Zr(1)-C(34)Cl(1)-Zr(1)-C(34)C(11)-Zr(1)-C(34)C(32)-Zr(1)-C(34)C(31)-Zr(1)-C(34)C(12)-Zr(1)-C(34)C(33)-Zr(1)-C(34)C(22)-Zr(1)-C(34)C(42)-Zr(1)-C(34)C(13)-Zr(1)-C(34)N(1)-Zr(1)-C(14)Cl(1)-Zr(1)-C(14)C(11)-Zr(1)-C(14)C(32)-Zr(1)-C(14)C(31)-Zr(1)-C(14)C(12)-Zr(1)-C(14)C(33)-Zr(1)-C(14)C(22)-Zr(1)-C(14)C(42)-Zr(1)-C(14)C(13)-Zr(1)-C(14)C(34)-Zr(1)-C(14)C(30)-Si(1)-C(50)C(34)-Zr(1)-C(14)C(30)-Si(1)-C(50)C(30)-Si(1)-C(31)C(50)-Si(1)-C(31)C(30)-Si(1)-C(11)C(50)-Si(1)-C(11)C(31)-Si(1)-C(11)C(1)-N(1)-Zr(1)C(1)-N(1)-H(1)Zr(1)-N(1)-H(1)N(1)-C(1)-C(3)N(1)-C(1)-C(2)C(3)-C(1)-C(2)N(1)-C(1)-C(4)C(3)-C(1)-C(4)C(2)-C(1)-C(4)C(1)-C(2)-H(2A)C(1)-C(2)-H(2B)H(2A)-C(2)-H(2B)C(1)-C(2)-H(2C)H(2A)-C(2)-H(2C)H(2B)-C(2)-H(2C)C(1)-C(3)-H(3A)C(1)-C(3)-H(3B)H(3A)-C(3)-H(3B)C(1)-C(3)-H(3C)H(3A)-C(3)-H(3C)H(3B)-C(3)-H(3C)C(1)-C(4)-H(4A)C(1)-C(4)-H(4B)H(4A)-C(4)-H(4B)31.01(13)172.11(12)51.94(12)120.53(12)111.24(13)79.80(8)117.92(12)52.39(12)53.57(11)120.58(12)31.29(12)142.45(12)31.70(11)144.89(12)76.83(12)102.54(8)53.47(12)125.10(12)119.06(12)51.59(12)151.27(12)31.45(11)139.47(12)30.55(11)171.16(12)105.5(2)171.16(12)105.5(2)114.65(19)114.08(19)113.40(19)112.76(19)96.68(17)147.7(3)106.1106.1110.4(4)110.1(4)111.2(4)107.4(3)108.0(4)109.7(4)109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5430приложениеC(44)-H(44)C(45)-C(46)C(45)-H(45)C(46)-C(47)C(46)-H(46)C(47)-C(48)C(47)-H(47)C(48)-H(48)C(49)-H(49A)C(49)-H(49B)C(49)-H(49C)C(50)-H(50A)C(50)-H(50B)C(50)-H(50C)C(10)-Cl(2)C(10)-Cl(3)C(10)-H(10A)C(10)-H(10B)УголC(12)-C(13)-H(13)C(14)-C(13)-H(13)Zr(1)-C(13)-H(13)C(13)-C(14)-C(15)C(13)-C(14)-C(22)C(15)-C(14)-C(22)C(13)-C(14)-Zr(1)C(15)-C(14)-Zr(1)C(22)-C(14)-Zr(1)C(16)-C(15)-C(14)C(16)-C(15)-C(23)C(14)-C(15)-C(23)C(15)-C(16)-C(20)C(15)-C(16)-C(17)C(20)-C(16)-C(17)C(16)-C(17)-C(18)C(16)-C(17)-H(17A)C(18)-C(17)-H(17A)C(16)-C(17)-H(17B)C(18)-C(17)-H(17B)H(17A)-C(17)-H(17B)C(19)-C(18)-C(17)C(19)-C(18)-H(18A)C(17)-C(18)-H(18A)C(19)-C(18)-H(18B)C(17)-C(18)-H(18B)H(18A)-C(18)-H(18B)C(20)-C(19)-C(18)C(20)-C(19)-H(19A)C(18)-C(19)-H(19A)C(20)-C(19)-H(19B)C(18)-C(19)-H(19B)H(19A)-C(19)-H(19B)C(21)-C(20)-C(16)C(21)-C(20)-C(19)C(16)-C(20)-C(19)0.95001.389(8)0.95001.374(8)0.95001.375(7)0.95000.95000.98000.98000.98000.98000.98000.98001.702(8)1.751(8)0.99000.9900ω [град]125.2125.2119.1131.1(4)106.6(3)122.3(3)72.1(2)125.5(3)69.0(2)116.4(4)122.7(4)120.9(3)121.8(4)128.8(4)109.4(3)103.0(3)111.2111.2111.2111.2109.1104.5(3)110.8110.8110.8110.8108.9103.8(3)111.0111.0111.0111.0109.0122.4(4)128.2(4)109.4(4)C(1)-C(4)-H(4C)H(4A)-C(4)-H(4C)H(4B)-C(4)-H(4C)C(22)-C(11)-C(12)C(22)-C(11)-Si(1)C(12)-C(11)-Si(1)C(22)-C(11)-Zr(1)C(12)-C(11)-Zr(1)Si(1)-C(11)-Zr(1)C(13)-C(12)-C(11)C(13)-C(12)-C(29)C(11)-C(12)-C(29)C(13)-C(12)-Zr(1)C(11)-C(12)-Zr(1)C(29)-C(12)-Zr(1)C(12)-C(13)-C(14)C(12)-C(13)-Zr(1)C(14)-C(13)-Zr(1)УголC(49)-C(32)-Zr(1)C(32)-C(33)-C(34)C(32)-C(33)-Zr(1)C(34)-C(33)-Zr(1)C(32)-C(33)-H(33)C(34)-C(33)-H(33)Zr(1)-C(33)-H(33)C(33)-C(34)-C(42)C(33)-C(34)-C(35)C(42)-C(34)-C(35)C(33)-C(34)-Zr(1)C(42)-C(34)-Zr(1)C(35)-C(34)-Zr(1)C(36)-C(35)-C(34)C(36)-C(35)-C(43)C(34)-C(35)-C(43)C(35)-C(36)-C(40)C(35)-C(36)-C(37)C(40)-C(36)-C(37)C(36)-C(37)-C(38)C(36)-C(37)-H(37A)C(38)-C(37)-H(37A)C(36)-C(37)-H(37B)C(38)-C(37)-H(37B)H(37A)-C(37)-H(37B)C(39)-C(38)-C(37)C(39)-C(38)-H(38A)C(37)-C(38)-H(38A)C(39)-C(38)-H(38B)C(37)-C(38)-H(38B)H(38A)-C(38)-H(38B)C(40)-C(39)-C(38)C(40)-C(39)-H(39A)C(38)-C(39)-H(39A)C(40)-C(39)-H(39B)C(38)-C(39)-H(39B)109.5109.5109.5105.4(3)126.2(3)126.0(3)77.6(2)75.7(2)98.73(16)109.4(3)121.7(4)128.9(4)79.0(2)70.8(2)118.8(3)109.5(3)70.0(2)77.3(2)ω [град]120.3(3)109.2(3)72.5(2)78.1(2)125.4125.4115.9106.9(3)131.7(4)121.4(4)70.6(2)72.4(2)121.1(3)116.6(4)124.3(4)119.0(4)122.8(4)128.4(4)108.9(3)102.9(3)111.2111.2111.2111.2109.1105.9(4)110.6110.6110.6110.6108.7103.7(3)111.0111.0111.0111.0431приложениеC(20)-C(21)-C(22)C(20)-C(21)-H(21)C(22)-C(21)-H(21)C(21)-C(22)-C(11)C(21)-C(22)-C(14)C(11)-C(22)-C(14)C(21)-C(22)-Zr(1)C(11)-C(22)-Zr(1)C(14)-C(22)-Zr(1)C(28)-C(23)-C(24)C(28)-C(23)-C(15)C(24)-C(23)-C(15)C(25)-C(24)-C(23)C(25)-C(24)-H(24)C(23)-C(24)-H(24)C(26)-C(25)-C(24)C(26)-C(25)-H(25)C(24)-C(25)-H(25)C(27)-C(26)-C(25)C(27)-C(26)-H(26)C(25)-C(26)-H(26)C(26)-C(27)-C(28)C(26)-C(27)-H(27)C(28)-C(27)-H(27)C(23)-C(28)-C(27)C(23)-C(28)-H(28)C(27)-C(28)-H(28)C(12)-C(29)-H(29A)C(12)-C(29)-H(29B)H(29A)-C(29)-H(29B)C(12)-C(29)-H(29C)H(29A)-C(29)-H(29C)H(29B)-C(29)-H(29C)Si(1)-C(30)-H(30A)Si(1)-C(30)-H(30B)H(30A)-C(30)-H(30B)Si(1)-C(30)-H(30C)H(30A)-C(30)-H(30C)H(30B)-C(30)-H(30C)C(32)-C(31)-C(42)C(32)-C(31)-Si(1)C(42)-C(31)-Si(1)C(32)-C(31)-Zr(1)C(42)-C(31)-Zr(1)Si(1)-C(31)-Zr(1)C(33)-C(32)-C(31)C(33)-C(32)-C(49)C(31)-C(32)-C(49)C(33)-C(32)-Zr(1)C(31)-C(32)-Zr(1)118.4(4)120.8120.8132.3(4)118.6(4)109.1(3)120.0(2)69.4(2)79.5(2)117.8(4)120.9(4)121.3(4)120.2(4)119.9119.9120.6(4)119.7119.7120.3(4)119.8119.8119.8(4)120.1120.1121.2(4)119.4119.4109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5105.6(3)125.6(3)124.2(3)73.2(2)76.8(2)96.72(16)109.4(3)123.5(4)127.0(3)75.5(2)73.8(2)H(39A)-C(39)-H(39B)C(41)-C(40)-C(36)C(41)-C(40)-C(39)C(36)-C(40)-C(39)C(40)-C(41)-C(42)C(40)-C(41)-H(41)C(42)-C(41)-H(41)C(41)-C(42)-C(34)C(41)-C(42)-C(31)C(34)-C(42)-C(31)C(41)-C(42)-Zr(1)C(34)-C(42)-Zr(1)C(31)-C(42)-Zr(1)C(44)-C(43)-C(48)C(44)-C(43)-C(35)C(48)-C(43)-C(35)C(45)-C(44)-C(43)C(45)-C(44)-H(44)C(43)-C(44)-H(44)C(44)-C(45)-C(46)C(44)-C(45)-H(45)C(46)-C(45)-H(45)C(47)-C(46)-C(45)C(47)-C(46)-H(46)C(45)-C(46)-H(46)C(46)-C(47)-C(48)C(46)-C(47)-H(47)C(48)-C(47)-H(47)C(47)-C(48)-C(43)C(47)-C(48)-H(48)C(43)-C(48)-H(48)C(32)-C(49)-H(49A)C(32)-C(49)-H(49B)H(49A)-C(49)-H(49B)C(32)-C(49)-H(49C)H(49A)-C(49)-H(49C)H(49B)-C(49)-H(49C)Si(1)-C(50)-H(50A)Si(1)-C(50)-H(50B)H(50A)-C(50)-H(50B)Si(1)-C(50)-H(50C)H(50A)-C(50)-H(50C)H(50B)-C(50)-H(50C)Cl(2)-C(10)-Cl(3)Cl(2)-C(10)-H(10A)Cl(3)-C(10)-H(10A)Cl(2)-C(10)-H(10B)Cl(3)-C(10)-H(10B)H(10A)-C(10)-H(10B)109.0121.7(4)128.5(4)109.9(3)118.7(4)120.7120.7118.8(3)132.5(4)108.7(3)121.2(3)75.9(2)70.7(2)118.4(4)121.8(4)119.7(4)120.7(5)119.6119.6119.7(5)120.2120.2119.9(5)120.0120.0120.6(5)119.7119.7120.7(5)119.7119.7109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5109.5113.4(5)108.9108.9108.9108.9107.7432приложениеТаблица П15.
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