Atom | X(σ) | Y(σ) | Z(σ) | Ueq (Å2) |
S(1) | 0.96253(6) | 0.06080(11) | 0.56840(4) | 0.0344(4) |
S(2) | 0.84920(5) | 0.52069(10) | 1.00769(4) | 0.0283(4) |
O(1) | 1.03122(15) | -0.0216(3) | 0.57994(12) | 0.0434(9) |
O(2) | 0.90586(18) | -0.0113(4) | 0.53733(14) | 0.0689(11) |
O(3) | 0.93390(17) | 0.1135(3) | 0.61125(12) | 0.0524(9) |
O(4) | 0.9901(2) | 0.1931(3) | 0.54180(16) | 0.0618(11) |
O(5) | 0.85254(17) | 0.5729(3) | 0.95896(11) | 0.0488(9) |
O(6) | 0.77454(16) | 0.5547(3) | 1.02175(12) | 0.0454(9) |
O(7) | 0.86231(16) | 0.3654(3) | 1.01099(11) | 0.0442(9) |
O(8) | 0.90720(17) | 0.5895(3) | 1.04201(12) | 0.0556(10) |
N(1) | 0.5054(3) | 1.1817(6) | 0.56520(16) | 0.0349(12) |
N(2) | 0.7194(3) | 0.7146(5) | 0.91374(16) | 0.0340(10) |
N(3) | 0.6685(3) | 0.6334(5) | 0.55215(16) | 0.0328(10) |
C(1) | 0.5000 | 0.9100(7) | 0.75000 | 0.0437(18) |
C(2) | 0.5022(2) | 0.9906(4) | 0.70337(16) | 0.0317(11) |
C(3) | 0.5366(3) | 0.9261(6) | 0.66661(19) | 0.0383(13) |
C(4) | 0.5383(2) | 0.9876(5) | 0.6223(2) | 0.0336(12) |
C(5) | 0.5051(2) | 1.1185(4) | 0.61256(15) | 0.0280(11) |
C(6) | 0.4700(3) | 1.1843(6) | 0.64757(18) | 0.0406(13) |
C(7) | 0.4686(3) | 1.1215(5) | 0.6918(2) | 0.0439(14) |
C(8) | 0.7374(2) | 0.7624(4) | 0.86656(15) | 0.0310(11) |
C(9) | 0.8020(3) | 0.7143(5) | 0.84970(18) | 0.0424(12) |
C(10) | 0.8195(3) | 0.7618(5) | 0.80590(18) | 0.0435(13) |
C(11) | 0.7741(2) | 0.8577(4) | 0.77711(16) | 0.0347(11) |
C(12) | 0.7085(3) | 0.9018(5) | 0.7957(2) | 0.0470(14) |
C(13) | 0.6903(3) | 0.8574(5) | 0.83955(19) | 0.0424(13) |
C(14) | 0.7949(3) | 0.9094(7) | 0.72988(18) | 0.0466(14) |
C(15) | 0.7634(2) | 0.8299(4) | 0.68415(15) | 0.0309(11) |
C(16) | 0.7894(3) | 0.8622(5) | 0.64072(17) | 0.0365(11) |
C(17) | 0.7606(2) | 0.7969(4) | 0.59745(19) | 0.0367(12) |
C(18) | 0.7017(2) | 0.6976(4) | 0.59778(15) | 0.0288(11) |
C(19) | 0.6766(3) | 0.6634(5) | 0.64043(17) | 0.0347(12) |
C(20) | 0.7059(2) | 0.7285(4) | 0.68375(17) | 0.0351(11) |