Dissertation Martin Krause.pdf - KLUEDO - Universität Kaiserslautern

O(3)-Na(1)-N(1) 134.23(11) O(1)-Na(1)-N(1) 69.76(10)
O(5)-Na(1)-N(1) 67.94(10) O(4)-Na(1)-N(1) 69.58(10)
O(2)-Na(1)-N(1) 137.34(10) O(6)-Na(1)-N(1) 132.77(11)
C(3)-O(1)-C(2) 114.6(3) C(3)-O(1)-Na(1) 115.7(2)
C(2)-O(1)-Na(1) 116.5(2) C(5)-O(2)-C(4) 116.5(3)
C(5)-O(2)-Na(1) 116.8(2) C(4)-O(2)-Na(1) 115.9(2)
C(14)-O(3)-C(15) 119.4(3) C(14)-O(3)-Na(1) 121.1(2)
C(15)-O(3)-Na(1) 115.8(2) C(16)-O(4)-C(17) 110.3(3)
C(16)-O(4)-Na(1) 115.4(2) C(17)-O(4)-Na(1) 114.0(2)
C(21)-O(5)-C(20) 113.8(3) C(21)-O(5)-Na(1) 124.0(2)
C(20)-O(5)-Na(1) 121.3(2) C(22)-O(6)-Na(1) 119.2(2)
C(22)-O(7)-C(23) 117.2(3)
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
I(1) 0.039(1) 0.044(1) 0.034(1) 0.006(1) 0.013(1) 0.001(1)
N(1) 0.029(2) 0.043(2) 0.048(2) 0.014(1) 0.015(1) 0.003(1)
Na(1) 0.029(1) 0.035(1) 0.029(1) 0.003(1) 0.012(1) 0.000(1)
O(1) 0.055(2) 0.051(2) 0.055(2) 0.022(1) 0.033(1) 0.014(1)
O(2) 0.045(1) 0.051(2) 0.034(1) 0.012(1) 0.022(1) 0.012(1)
O(3) 0.040(1) 0.045(1) 0.044(1) -0.012(1) 0.024(1) -0.010(1)
O(4) 0.039(1) 0.043(1) 0.053(2) -0.005(1) 0.019(1) -0.007(1)
O(5) 0.039(1) 0.056(2) 0.032(1) -0.001(1) 0.015(1) 0.015(1)
O(6) 0.036(1) 0.052(2) 0.036(1) -0.010(1) 0.012(1) 0.003(1)
O(7) 0.035(1) 0.044(1) 0.030(1) -0.001(1) 0.010(1) -0.001(1)
C(1) 0.042(2) 0.076(3) 0.060(3) 0.030(2) 0.023(2) 0.019(2)
C(2) 0.037(2) 0.046(2) 0.046(2) 0.020(2) 0.014(2) 0.010(2)
C(3) 0.038(2) 0.055(2) 0.039(2) 0.018(2) 0.017(2) 0.000(2)
C(4) 0.058(2) 0.039(2) 0.040(2) 0.004(2) 0.028(2) -0.002(2)
C(5) 0.036(2) 0.041(2) 0.024(2) 0.001(1) 0.012(1) 0.002(1)
C(6) 0.036(2) 0.041(2) 0.029(2) 0.002(1) 0.013(1) -0.002(1)
C(7) 0.030(2) 0.046(2) 0.027(2) -0.006(1) 0.008(1) -0.001(1)
C(8) 0.034(2) 0.051(2) 0.036(2) -0.006(2) 0.013(1) -0.004(2)
C(9) 0.032(2) 0.058(2) 0.041(2) -0.011(2) 0.013(2) -0.001(2)
C(10) 0.040(2) 0.050(2) 0.045(2) -0.013(2) 0.012(2) 0.001(2)
C(11) 0.040(2) 0.042(2) 0.039(2) -0.007(2) 0.011(2) -0.003(2)
C(12) 0.032(2) 0.043(2) 0.029(2) -0.009(2) 0.007(1) -0.004(2)
C(13) 0.040(2) 0.044(2) 0.031(2) -0.008(2) 0.015(2) -0.008(2)
C(14) 0.032(2) 0.046(2) 0.026(2) -0.007(1) 0.011(1) -0.004(1)
C(15) 0.067(3) 0.035(2) 0.087(3) -0.005(2) 0.053(3) -0.008(2)
C(16) 0.053(2) 0.049(2) 0.066(3) -0.026(2) 0.036(2) -0.022(2)
C(17) 0.031(2) 0.053(2) 0.066(3) 0.005(2) 0.014(2) -0.009(2)
C(18) 0.038(2) 0.059(2) 0.057(2) 0.011(2) 0.021(2) 0.002(2)
C(19) 0.050(2) 0.048(2) 0.063(3) 0.010(2) 0.032(2) 0.012(2)
C(20) 0.047(2) 0.043(2) 0.049(2) 0.001(2) 0.030(2) 0.010(2)
C(21) 0.041(2) 0.040(2) 0.028(2) -0.002(1) 0.014(1) 0.001(2)
C(22) 0.038(2) 0.032(2) 0.030(2) 0.001(1) 0.013(1) -0.001(1)
C(23) 0.035(2) 0.043(2) 0.037(2) 0.005(2) 0.011(2) 0.004(2)
C(24) 0.037(2) 0.036(2) 0.034(2) 0.002(1) 0.014(1) 0.005(1)
C(25) 0.044(2) 0.039(2) 0.031(2) -0.002(1) 0.014(2) 0.001(2)
C(26) 0.045(2) 0.038(2) 0.046(2) -0.004(2) 0.020(2) 0.000(2)
C(27) 0.052(2) 0.039(2) 0.053(2) 0.008(2) 0.032(2) 0.009(2)
C(28) 0.060(2) 0.047(2) 0.037(2) 0.012(2) 0.026(2) 0.017(2)
C(29) 0.041(2) 0.047(2) 0.033(2) 0.003(2) 0.010(2) 0.010(2)
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