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

Praktischer Teil
Tab. 22 Atomic coordinates (10 4 ) and equivalent isotropic displacement parameters (10 -1 pm 2 ) for
[Nb(CH ) ][Li(Et O) ]. U(eq) is defined as one third of the trace of the orthogonalized Uij tensor.
3 6 2 3
x y z U(eq)
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Nb(1) 926(1) 990(1) 7546(1) 18(1)
C(1) 2723(6) 1716(5) 7764(5) 27(2)
C(2) 1024(7) 1645(5) 6198(5) 33(2)
C(3) 89(6) 2148(5) 8077(5) 32(2)
C(4) 2222(7) 71(4) 8127(5) 31(2)
C(5) -630(7) 526(5) 8444(5) 33(2)
C(6) 153(7) 68(5) 6576(6) 37(2)
Li(1) 4675(8) 2536(6) 7656(7) 23(2)
O(1) 4147(3) 3643(2) 7293(2) 21(1)
C(11) 4449(5) 3958(4) 6381(4) 23(1)
C(12) 3514(8) 4241(4) 7856(5) 46(2)
C(13) 3309(6) 4015(5) 5764(4) 30(1)
C(14) 3146(6) 3881(4) 8772(4) 33(2)
O(2) 5531(3) 1986(2) 6633(3) 20(1)
C(21) 4874(6) 1838(4) 5775(4) 30(2)
C(22) 6884(5) 1868(4) 6589(4) 26(1)
C(23) 4711(7) 941(4) 5565(5) 40(2)
C(24) 7553(6) 2590(4) 6168(4) 30(2)
O(3) 5935(4) 2640(2) 8661(3) 24(1)
C(31) 6788(6) 3349(4) 8595(5) 31(2)
C(32) 6395(6) 2036(4) 9299(5) 33(2)
C(33) 6839(7) 3849(4) 9441(5) 42(2)
C(34) 5604(8) 1289(5) 9224(7) 64(3)
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Tab. 23 Bond lengths [pm] and angles [°] for [Nb(CH 3 ) 6 ][Li(Et 2 O) 3 ].
Nb(1)-C(4) 219.4(7)
Nb(1)-C(6) 221.3(7)
Nb(1)-C(3) 221.9(7)
Nb(1)-C(5) 222.5(6)
Nb(1)-C(2) 222.7(7)
Nb(1)-C(1) 225.6(6)
C(1)-H(1A) 98(7)
C(1)-H(1B) 83(7)
C(1)-H(1C) 94(7)
C(2)-H(2A) 97(7)
C(2)-H(2B) 80(7)
C(2)-H(2C) 100(7)
C(3)-H(3A) 98(8)
C(3)-H(3B) 98(7)
C(3)-H(3C) 92(7)
C(4)-H(4A) 91(8)
C(4)-H(4B) 97(7)
C(4)-H(4C) 85(7)
C(5)-H(5A) 106(7)
C(5)-H(5B) 90(7)
C(5)-H(5C) 93(7)
C(6)-H(6A) 80(7)
C(6)-H(6B) 96(7)
C(6)-H(6C) 93(7)
Li(1)-H(1B) 220(6)
Li(1)-H(1C) 222(6)
O(1)-C(12) 143.4(7)
58
O(1)-C(11) 145.3(7)
C(11)-C(13) 150.1(8)
C(12)-C(14) 150.3(10)
O(2)-C(22) 144.1(6)
O(2)-C(21) 144.4(7)
C(21)-C(23) 150.2(10)
C(22)-C(24) 150.0(8)
O(3)-C(32) 143.4(7)
O(3)-C(31) 146.7(7)
C(31)-C(33) 147.3(9)
C(32)-C(34) 147.8(10)
C(x)-H(xA-B) 99.00
X = 11,12,21,22,31,32
C(y)-H(yA-D) 98.00
Y = 13,14,23,24,33,34
C(4)-Nb(1)-C(6) 90.5(3)
C(4)-Nb(1)-C(3) 134.0(3)
C(6)-Nb(1)-C(3) 130.6(3)
C(4)-Nb(1)-C(5) 90.2(3)
C(6)-Nb(1)-C(5) 82.5(3)
C(3)-Nb(1)-C(5) 78.1(3)
C(4)-Nb(1)-C(2) 129.3(3)
C(6)-Nb(1)-C(2) 77.6(3)
C(3)-Nb(1)-C(2) 85.1(3)
C(5)-Nb(1)-C(2) 135.2(3)
C(4)-Nb(1)-C(1) 77.4(3)