Dissertation Martin Krause.pdf - KLUEDO - Universität Kaiserslautern

C(27)-C(28)-C(29) 119.7(5) C(30)-C(29)-C(28) 117.3(5)
N(15)-C(30)-C(29) 124.3(5) N(15)-C(30)-N(1) 114.1(4)
C(29)-C(30)-N(1) 121.6(4) O(6)-C(33)-C(32) 122.6(6)
O(6)-C(33)-C(34) 120.7(6) C(32)-C(33)-C(34) 116.6(6)
C(1)-N(1)-C(30) 125.6(4) N(3)-N(2)-C(5) 112.3(4)
N(3)-N(2)-C(2) 119.5(4) C(5)-N(2)-C(2) 128.1(4)
N(2)-N(3)-N(4) 106.5(4) C(4)-N(4)-N(3) 108.1(4)
C(10)-N(5)-C(6) 117.8(4) C(11)-N(6)-C(10) 128.1(4)
C(15)-N(7)-N(8) 110.3(4) C(15)-N(7)-C(12) 131.1(4)
N(8)-N(7)-C(12) 117.7(4) N(9)-N(8)-N(7) 107.0(4)
N(8)-N(9)-C(14) 108.5(4) C(16)-N(10)-C(20) 118.5(4)
C(21)-N(11)-C(20) 126.8(4) N(13)-N(12)-C(25) 110.5(4)
N(13)-N(12)-C(22) 120.4(4) C(25)-N(12)-C(22) 128.2(4)
N(14)-N(13)-N(12) 107.0(4) N(13)-N(14)-C(24) 109.3(4)
C(30)-N(15)-C(26) 116.6(4)
Anisotrope Auslenkungsparameter (Å 2 ).
Der Exponent des anisotropen Auslenkungsfaktors nimmt folgende Form an:
-2π 2 [ h 2 a* 2 U 11 + ... + 2 h k a* b* U 12 ].
U11 U22 U33 U23 U13 U12
C(1) 0.052(3) 0.022(3) 0.034(3) 0.002(2) 0.009(3) -0.001(3)
C(2) 0.047(3) 0.027(3) 0.039(3) 0.005(2) -0.003(3) 0.007(2)
C(3) 0.054(4) 0.039(3) 0.052(3) 0.001(3) 0.003(3) -0.002(3)
C(4) 0.054(4) 0.034(3) 0.041(3) 0.002(2) -0.001(3) 0.009(3)
C(5) 0.049(4) 0.033(3) 0.037(3) -0.004(2) -0.001(3) 0.002(3)
C(6) 0.046(3) 0.022(3) 0.035(3) -0.003(2) -0.003(3) -0.001(2)
C(7) 0.057(4) 0.027(3) 0.044(3) 0.002(2) -0.007(3) 0.000(2)
C(8) 0.058(4) 0.026(3) 0.046(3) 0.009(2) 0.000(3) -0.003(3)
C(9) 0.050(4) 0.030(3) 0.055(3) 0.001(3) 0.004(3) -0.005(3)
C(10) 0.060(4) 0.023(3) 0.043(3) 0.003(2) -0.006(3) -0.005(3)
C(11) 0.039(3) 0.042(3) 0.039(3) 0.002(3) 0.007(3) 0.001(3)
C(12) 0.035(3) 0.034(3) 0.032(3) 0.000(2) 0.000(2) 0.002(2)
C(13) 0.047(3) 0.038(3) 0.051(3) 0.004(3) 0.004(3) 0.000(3)
C(14) 0.052(3) 0.024(3) 0.043(3) 0.000(2) 0.004(3) -0.004(2)
C(15) 0.040(3) 0.017(2) 0.044(3) -0.003(2) 0.004(3) -0.003(2)
C(16) 0.044(4) 0.015(2) 0.043(3) -0.001(2) 0.003(3) 0.003(2)
C(17) 0.038(3) 0.024(3) 0.054(4) -0.005(2) 0.002(3) 0.001(2)
C(18) 0.043(3) 0.028(3) 0.043(3) -0.003(2) -0.003(3) 0.000(2)
C(19) 0.045(3) 0.028(3) 0.045(3) -0.002(2) -0.004(3) 0.002(2)
C(20) 0.048(4) 0.022(3) 0.040(3) -0.002(2) -0.002(3) 0.003(2)
C(21) 0.047(4) 0.024(3) 0.045(3) 0.004(2) -0.006(3) 0.006(2)
C(22) 0.048(3) 0.028(3) 0.031(3) -0.003(2) 0.002(2) -0.004(2)
C(23) 0.060(4) 0.034(3) 0.051(3) -0.002(3) 0.004(3) -0.002(3)
C(24) 0.051(4) 0.032(3) 0.033(3) -0.005(2) -0.001(3) 0.000(2)
C(25) 0.045(3) 0.024(3) 0.038(3) -0.001(2) -0.001(3) 0.002(2)
C(26) 0.049(3) 0.029(3) 0.037(3) -0.002(2) 0.003(3) 0.008(2)
C(27) 0.049(3) 0.030(3) 0.050(3) -0.005(3) -0.005(3) 0.000(2)
C(28) 0.048(4) 0.031(3) 0.051(3) -0.004(3) -0.007(3) -0.003(2)
C(29) 0.067(4) 0.025(3) 0.053(3) 0.000(2) -0.002(3) 0.004(3)
C(30) 0.052(4) 0.020(3) 0.038(3) 0.001(2) 0.005(3) 0.001(2)
C(32) 0.196(10) 0.072(5) 0.073(5) 0.005(4) -0.032(6) -0.003(5)
C(33) 0.063(4) 0.052(4) 0.080(5) -0.020(4) 0.005(4) -0.002(3)
C(34) 0.063(4) 0.057(4) 0.091(5) -0.017(4) -0.001(4) -0.007(3)
N(1) 0.051(3) 0.025(2) 0.035(2) -0.002(2) -0.009(2) 0.004(2)
N(2) 0.044(3) 0.030(2) 0.041(2) 0.003(2) -0.001(2) 0.005(2)
N(3) 0.049(3) 0.039(3) 0.046(3) 0.001(2) 0.001(2) 0.010(2)
93