Homoleptische Methylverbindungen von Elementen der 4. und 5 ...

Praktischer Teil
Tab. 63 Atomic coordinates (10 4 ) and equivalent isotropic displacement parameters (10 -1 pm 2 ) for
Ti(CH ) ·O(C H ) . U(eq) is defined as one third of the trace of the orthogonalized Uij tensor.
3 4 2 5 2
x y z U(eq)
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Ti(1) 4386(1) 4814(1) 7427(1) 19(1)
C(1) 2577(8) 5329(2) 6520(4) 31(1)
C(2) 6136(9) 5391(2) 8178(4) 36(1)
C(3) 6914(9) 4469(3) 6920(5) 36(1)
C(4) 3266(8) 4545(2) 8730(3) 26(1)
O(1) 2570(4) 4196(1) 6567(2) 16(1)
C(11) 1435(7) 4219(2) 5560(3) 24(1)
C(12) 2786(8) 4228(2) 4728(3) 33(1)
C(14) 1239(9) 3435(2) 7319(4) 33(1)
C(13) 2990(7) 3676(2) 6893(3) 24(1)
Ti(2) 7739(1) 2652(1) 10359(1) 20(1)
C(5) 6481(9) 1967(2) 9779(4) 30(1)
C(6) 10564(9) 2458(2) 9938(5) 34(1)
C(7) 5811(8) 3111(2) 9404(4) 33(1)
C(8) 6959(9) 2512(2) 11830(4) 31(1)
O(2) 9179(4) 3375(1) 11039(2) 22(1)
C(21) 9905(8) 3742(2) 10349(3) 26(1)
C(22) 8751(9) 4231(2) 10321(4) 37(1)
C(23) 10023(8) 3464(2) 12095(3) 32(1)
C(24) 12023(8) 3221(2) 12346(4) 36(1)
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Tab. 64 Bond lengths [pm] and angles [°] for Ti(CH 3 ) 4 ·O(C 2 H 5 ) 2 .
Ti(1)-C(4) 207.4(4)
Ti(1)-C(2) 209.0(5)
Ti(1)-C(1) 209.3(5)
Ti(1)-C(3) 210.0(5)
Ti(1)-O(1) 225.1(2)
C(1)-H(11) 93(4)
C(1)-H(12) 85(4)
C(1)-H(13) 96(4)
C(2)-H(21) 93(5)
C(2)-H(22) 86(4)
C(2)-H(23) 100(4)
C(3)-H(31) 87(5)
C(3)-H(32) 73(6)
C(3)-H(33) 79(6)
C(4)-H(41) 97(5)
C(4)-H(42) 93(5)
C(4)-H(43) 88(4)
O(1)-C(13) 144.6(4)
O(1)-C(11) 145.0(5)
C(11)-C(12) 150.0(6)
C(11)-H(111) 96(3)
C(11)-H(112) 104(4)
C(12)-H(121) 99(4)
C(12)-H(122) 97(4)
C(12)-H(123) 90(4)
C(14)-C(13) 149.9(6)
C(14)-H(141) 92(4)
C(14)-H(142) 97(4)
C(14)-H(143) 84(4)
C(13)-H(131) 90(4)
90
C(13)-H(132) 93(3)
Ti(2)-C(7) 207.9(5)
Ti(2)-C(5) 208.8(5)
Ti(2)-C(8) 209.6(4)
Ti(2)-C(6) 209.9(5)
Ti(2)-O(2) 226.5(2)
C(5)-H(51) 86(4)
C(5)-H(52) 96(4)
C(5)-H(53) 93(4)
C(6)-H(61) 76(5)
C(6)-H(62) 80(6)
C(6)-H(63) 84(6)
C(7)-H(71) 89(5)
C(7)-H(72) 86(4)
C(7)-H(73) 89(5)
C(8)-H(81) 97(4)
C(8)-H(82) 96(4)
C(8)-H(83) 86(4)
O(2)-C(21) 144.5(4)
O(2)-C(23) 145.7(5)
C(21)-C(22) 149.6(6)
C(21)-H(211) 91(4)
C(21)-H(212) 97(4)
C(22)-H(221) 92(4)
C(22)-H(222) 93(4)
C(22)-H(223) 95(4)
C(23)-C(24) 148.8(7)
C(23)-H(231) 98(3)
C(23)-H(232) 94(4)
C(24)-H(241) 93(4)