Dissertation Martin Krause.pdf - KLUEDO - Universität Kaiserslautern

Atomkoordinaten und äquivalente isotrope Auslenkungsparameter (Å 2 ).
U eq ist definiert als ein Drittel der Spur des orthogonalisierten U ij -Tensors.
x y z Ueq
C(1) 0.6496(4) 0.7278(3) 0.8167(3) 0.036(1)
C(2) 0.5647(4) 0.6921(3) 0.7649(3) 0.038(1)
C(3) 0.4836(4) 0.6476(3) 0.8122(3) 0.048(1)
C(4) 0.4693(4) 0.8516(3) 0.6493(3) 0.043(1)
C(5) 0.5509(4) 0.7991(3) 0.6621(3) 0.040(1)
C(6) 0.6519(4) 0.7874(2) 0.6222(3) 0.034(1)
C(7) 0.6848(5) 0.8398(3) 0.5672(3) 0.043(1)
C(8) 0.7787(5) 0.8259(3) 0.5296(3) 0.043(1)
C(9) 0.8388(5) 0.7594(3) 0.5440(3) 0.045(1)
C(10) 0.7971(5) 0.7096(3) 0.6006(3) 0.042(1)
C(11) 0.9248(4) 0.6002(3) 0.5784(3) 0.040(1)
C(12) 0.9297(4) 0.5128(3) 0.5903(3) 0.034(1)
C(13) 0.8306(4) 0.4716(3) 0.5614(3) 0.045(1)
C(14) 1.1856(4) 0.4539(2) 0.5163(3) 0.040(1)
C(15) 1.1270(4) 0.4706(2) 0.5798(3) 0.034(1)
C(16) 1.1598(4) 0.4729(2) 0.6602(3) 0.034(1)
C(17) 1.2677(4) 0.4827(3) 0.6783(3) 0.038(1)
C(18) 1.2966(4) 0.4821(2) 0.7535(3) 0.038(1)
C(19) 1.2193(4) 0.4743(3) 0.8089(3) 0.039(1)
C(20) 1.1128(4) 0.4649(3) 0.7863(3) 0.037(1)
C(21) 1.0233(4) 0.4711(3) 0.9116(3) 0.039(1)
C(22) 0.9159(4) 0.4575(3) 0.9489(3) 0.036(1)
C(23) 0.8869(5) 0.3706(3) 0.9554(3) 0.048(1)
C(24) 0.9466(4) 0.5724(3) 1.1182(3) 0.039(1)
C(25) 0.9257(4) 0.5710(3) 1.0418(3) 0.036(1)
C(26) 0.9063(4) 0.6366(3) 0.9898(3) 0.038(1)
C(27) 0.9567(4) 0.7069(3) 1.0036(3) 0.043(1)
C(28) 0.9314(4) 0.7701(3) 0.9590(3) 0.043(1)
C(29) 0.8545(5) 0.7629(3) 0.9028(3) 0.048(1)
C(30) 0.8069(4) 0.6899(3) 0.8933(3) 0.037(1)
C(32) 0.8718(9) 0.1935(4) 0.7414(4) 0.114(3)
C(33) 0.8467(5) 0.2307(4) 0.6677(4) 0.065(2)
C(34) 0.8070(6) 0.1781(4) 0.6052(4) 0.070(2)
N(1) 0.7273(3) 0.6767(2) 0.8374(2) 0.037(1)
N(2) 0.5107(3) 0.7558(2) 0.7220(2) 0.038(1)
N(3) 0.4134(4) 0.7793(2) 0.7434(2) 0.045(1)
N(4) 0.3870(4) 0.8392(2) 0.6972(2) 0.048(1)
N(5) 0.7086(4) 0.7225(2) 0.6391(2) 0.037(1)
N(6) 0.8438(3) 0.6362(2) 0.6163(2) 0.042(1)
N(7) 1.0252(3) 0.4825(2) 0.5531(2) 0.034(1)
N(8) 1.0230(4) 0.4749(2) 0.4754(2) 0.039(1)
N(9) 1.1213(4) 0.4564(2) 0.4536(2) 0.039(1)
N(10) 1.0838(3) 0.4645(2) 0.7128(2) 0.035(1)
N(11) 1.0255(3) 0.4553(2) 0.8357(2) 0.036(1)
N(12) 0.9203(3) 0.4937(2) 1.0243(2) 0.038(1)
N(13) 0.9392(3) 0.4500(2) 1.0866(2) 0.041(1)
N(14) 0.9527(3) 0.4984(3) 1.1440(2) 0.044(1)
N(15) 0.8325(3) 0.6267(2) 0.9341(2) 0.037(1)
O(1) 0.6428(3) 0.7945(2) 0.8395(2) 0.045(1)
O(2) 0.9859(3) 0.6334(2) 0.5356(2) 0.052(1)
O(3) 1.1007(3) 0.4947(2) 0.9470(2) 0.047(1)
O(4) 0.8177(3) 0.4031(2) 0.7717(2) 0.043(1)
O(5) 0.7305(3) 0.5438(2) 0.7383(2) 0.043(1)
O(6) 0.8580(4) 0.3008(2) 0.6567(2) 0.065(1)
91