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

Praktischer Teil
Tab. 44 Anisotropic displacement parameters (10 -1 pm 2 ) for TiCl (CH )·Et O. The anisotropic
3 3 2
displacement factor exponent takes the form: -2π 2 [ h 2 a 2 U11 + ... + 2 h k a* b* U12 ]
U11 U22 U33 U23 U13 U12
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Ti(1) 16(1) 11(1) 14(1) -2(1) -3(1) -6(1)
C(1) 17(1) 20(2) 26(2) -1(1) -3(1) -10(1)
Cl(11) 14(1) 13(1) 19(1) -4(1) 1(1) -6(1)
Cl(12) 25(1) 19(1) 23(1) -9(1) 0(1) -5(1)
Cl(13) 38(1) 28(1) 24(1) 2(1) -12(1) -14(1)
O(1) 14(1) 17(1) 14(1) 2(1) 1(1) -6(1)
C(11) 22(2) 22(2) 34(2) 2(1) -5(1) -1(1)
C(12) 14(1) 22(2) 18(1) 0(1) -3(1) -6(1)
C(13) 18(1) 21(2) 13(1) 3(1) 2(1) -8(1)
C(14) 30(2) 32(2) 17(1) -3(1) 1(1) -16(2)
Ti(2) 16(1) 9(1) 15(1) -1(1) -1(1) -6(1)
C(2) 24(2) 11(1) 24(2) -2(1) -5(1) 0(1)
Cl(21) 24(1) 25(1) 17(1) -3(1) 2(1) -11(1)
Cl(22) 17(1) 13(1) 19(1) -2(1) -3(1) -7(1)
Cl(23) 26(1) 20(1) 27(1) -4(1) -2(1) -14(1)
O(2) 13(1) 16(1) 15(1) -3(1) -2(1) -3(1)
C(21) 36(2) 35(2) 33(2) -19(2) -3(2) -10(2)
C(22) 21(2) 21(2) 16(1) -3(1) -5(1) -6(1)
C(23) 14(1) 24(2) 24(2) -5(1) -1(1) -3(1)
C(24) 22(2) 39(2) 21(2) -2(1) 0(1) -10(1)
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Tab. 45 Hydrogen coordinates (10 4 ) and isotropic displacement parameters (10 -1 pm)
for TiCl (CH ) in TiCl (CH )·Et O.
3 3 3 3 2
x y z U(eq)
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H(11) 3570(50) 2490(40) 240(20) 32(9)
H(12) 4120(50) 1730(40) -510(20) 38(10)
H(13) 2640(50) 3160(40) -620(20) 37(10)
H(21) -7010(50) 9310(40) -6330(20) 35(9)
H(22) -8770(50) 8670(40) -5880(20) 40(10)
H(23) -7970(50) 9370(40) -5290(20) 26(9)
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Tab. 46 Torsion angles [°] for TiCl 3 (CH 3 )·Et 2 O.
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C(1)-Ti(1)-Cl(11)-Ti(1)#1 -173.93(9)
O(1)-Ti(1)-Cl(11)-Ti(1)#1 -85.87(6)
Cl(13)-Ti(1)-Cl(11)-Ti(1)#1 93.13(4)
Cl(12)-Ti(1)-Cl(11)-Ti(1)#1 -30.00(13)
Cl(12)-Ti(1)-O(1)-C(12) -37.32(18)
Cl(12)-Ti(1)-O(1)-C(13) 130.04(18)
C(2)-Ti(2)-Cl(22)-Ti(2)#2 101.2(8)
O(2)-Ti(2)-Cl(22)-Ti(2)#2 83.51(6)
Cl(21)-Ti(2)-Cl(22)-Ti(2)#2 -88.40(4)
Cl(23)-Ti(2)-Cl(22)-Ti(2)#2 175.10(3)
Cl(23)-Ti(2)-O(2)-C(22) -34.93(19)
Cl(23)-Ti(2)-O(2)-C(23) 138.00(18)
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Symmetry transformations used to generate equivalent atoms:
#1 -x,-y,-z #2 -x-1,-y+1,-z-1
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