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) 0.0885(4) 0.3991(4) 0.4494(2) 0.037(1)
C(2) 0.0967(4) 0.3139(3) 0.4982(2) 0.037(1)
C(3) 0.0680(4) 0.3511(4) 0.5656(2) 0.041(1)
C(4) -0.0777(4) 0.1192(3) 0.4263(2) 0.039(1)
C(5) 0.0171(4) 0.1797(3) 0.4205(2) 0.036(1)
C(6) 0.0968(4) 0.1908(4) 0.3673(2) 0.043(1)
C(7) 0.0752(5) 0.1395(5) 0.3099(3) 0.060(2)
C(8) 0.1525(6) 0.1539(6) 0.2597(3) 0.083(2)
C(9) 0.2473(5) 0.2169(5) 0.2677(3) 0.061(2)
C(10) 0.2606(4) 0.2593(4) 0.3272(2) 0.041(1)
C(11) 0.4077(4) 0.3866(4) 0.3015(3) 0.043(1)
C(12) 0.4983(4) 0.4508(4) 0.3356(2) 0.043(1)
C(13) 0.5272(5) 0.5442(4) 0.2970(3) 0.054(1)
C(14) 0.7639(4) 0.3282(4) 0.3718(2) 0.049(1)
C(15) 0.6809(4) 0.3903(4) 0.3944(2) 0.040(1)
C(16) 0.6748(4) 0.4441(4) 0.4550(2) 0.039(1)
C(17) 0.7633(4) 0.4371(4) 0.4995(2) 0.042(1)
C(18) 0.7526(4) 0.4925(3) 0.5564(2) 0.039(1)
C(19) 0.6598(4) 0.5507(3) 0.5677(2) 0.038(1)
C(20) 0.5744(4) 0.5515(3) 0.5210(2) 0.038(1)
C(21) 0.4456(4) 0.6826(4) 0.5662(2) 0.040(1)
C(22) 0.3514(4) 0.7491(4) 0.5393(2) 0.039(1)
C(23) 0.3136(5) 0.8300(4) 0.5858(2) 0.047(1)
C(24) 0.4557(4) 0.8223(4) 0.3828(2) 0.041(1)
C(25) 0.3801(4) 0.7648(4) 0.4164(2) 0.038(1)
C(26) 0.2970(4) 0.6907(3) 0.3931(2) 0.036(1)
C(27) 0.2507(4) 0.7039(4) 0.3335(2) 0.046(1)
C(28) 0.1750(5) 0.6302(4) 0.3109(3) 0.052(1)
C(29) 0.1507(4) 0.5488(4) 0.3487(2) 0.048(1)
C(30) 0.2002(4) 0.5421(4) 0.4079(2) 0.038(1)
N(1) 0.1823(3) 0.4601(3) 0.4494(2) 0.038(1)
N(2) 0.0195(3) 0.2317(3) 0.4772(2) 0.035(1)
N(3) -0.0686(3) 0.2048(3) 0.5155(2) 0.041(1)
N(4) -0.1271(3) 0.1344(3) 0.4834(2) 0.038(1)
N(5) 0.1909(3) 0.2477(3) 0.3771(2) 0.039(1)
N(6) 0.3565(3) 0.3203(3) 0.3424(2) 0.042(1)
N(7) 0.6007(3) 0.3901(3) 0.3458(2) 0.041(1)
N(8) 0.6347(4) 0.3303(3) 0.2968(2) 0.049(1)
N(9) 0.7349(4) 0.2913(4) 0.3130(2) 0.053(1)
N(10) 0.5807(3) 0.5011(3) 0.4659(2) 0.036(1)
N(11) 0.4749(3) 0.6082(3) 0.5248(2) 0.040(1)
N(12) 0.3984(3) 0.7920(3) 0.4788(2) 0.038(1)
N(13) 0.4831(3) 0.8608(3) 0.4836(2) 0.044(1)
N(14) 0.5180(4) 0.8795(3) 0.4244(2) 0.046(1)
N(15) 0.2767(3) 0.6086(3) 0.4309(2) 0.038(1)
O(1) 0.0039(3) 0.4119(2) 0.4168(2) 0.041(1)
O(2) 0.3813(3) 0.3970(3) 0.2458(2) 0.051(1)
O(3) 0.4943(3) 0.6992(3) 0.6169(2) 0.046(1)
O(4) 0.2451(3) 0.5658(3) 0.6237(2) 0.056(1)
O(5A) -0.0450(7) 0.3981(6) 0.2490(3) 0.062(2)
O(5B) 0.0497(6) 0.4350(5) 0.2209(3) 0.044(2)
101