x | y | z | Uiso*/Ueq | ||
Cl1 | 1.06653 (5) | 0.00389 (2) | 0.64704 (2) | 0.02517 (9) | |
Cl2 | 0.28647 (6) | 0.43040 (2) | 0.69108 (2) | 0.03101 (9) | |
O1 | 0.64834 (18) | −0.14266 (6) | 0.60507 (6) | 0.03198 (19) | |
O2 | 0.83758 (17) | 0.15225 (5) | 0.51887 (5) | 0.02612 (17) | |
O3 | −0.17821 (19) | 0.55990 (6) | 0.63245 (6) | 0.03138 (19) | |
O4 | 0.43441 (18) | 0.37722 (6) | 0.52805 (6) | 0.03039 (19) | |
O5 | 0.70481 (17) | 0.29928 (5) | 0.42370 (5) | 0.02644 (17) | |
N1 | 0.8521 (2) | 0.24152 (9) | 0.30842 (7) | 0.0372 (3) | |
N2 | 0.4933 (2) | 0.33134 (8) | 0.27881 (7) | 0.0323 (2) | |
C1 | 0.5873 (2) | −0.07583 (7) | 0.55745 (7) | 0.02118 (19) | |
C2 | 0.7619 (2) | 0.00483 (7) | 0.56565 (7) | 0.02058 (19) | |
C3 | 0.6846 (2) | 0.07805 (7) | 0.51226 (6) | 0.02064 (19) | |
C4 | −0.0902 (2) | 0.53136 (7) | 0.57314 (7) | 0.0233 (2) | |
C5 | 0.1390 (2) | 0.46653 (7) | 0.58624 (7) | 0.0238 (2) | |
C6 | 0.2263 (2) | 0.43578 (7) | 0.51801 (7) | 0.0236 (2) | |
C7 | 0.6858 (2) | 0.29121 (7) | 0.34329 (7) | 0.0224 (2) | |
C8 | 0.7865 (2) | 0.24974 (8) | 0.21442 (8) | 0.0275 (2) | |
H8A | 0.737465 | 0.189643 | 0.185683 | 0.033* | |
H8B | 0.943169 | 0.276222 | 0.195803 | 0.033* | |
C9 | 0.5369 (3) | 0.31466 (9) | 0.19376 (8) | 0.0325 (2) | |
H9A | 0.578932 | 0.372186 | 0.166986 | 0.039* | |
H9B | 0.372898 | 0.285493 | 0.153938 | 0.039* | |
H1N | 0.989 (4) | 0.2121 (14) | 0.3405 (14) | 0.059 (6)* | |
H2N | 0.381 (4) | 0.3687 (13) | 0.2915 (12) | 0.041 (5)* | |
H2 | 0.766 (4) | 0.1933 (16) | 0.4861 (14) | 0.056 (6)* | |
H4 | 0.476 (4) | 0.3613 (13) | 0.4811 (13) | 0.045 (5)* |