x | y | z | Uiso*/Ueq | ||
Zn1 | 1.32995 (12) | 0.41377 (10) | 0.39336 (8) | 0.0404 (4) | |
Cl1 | 1.4508 (3) | 0.6199 (2) | 0.45651 (17) | 0.0448 (6) | |
Cl2 | 0.4395 (3) | 0.9322 (2) | 0.6822 (2) | 0.0584 (8) | |
F1 | 0.7971 (10) | −0.0762 (7) | −0.0678 (5) | 0.086 (2) | |
F2 | 0.6122 (9) | 0.2436 (7) | −0.0664 (4) | 0.083 (2) | |
F3 | 0.8098 (7) | 0.2576 (6) | 0.7540 (4) | 0.0657 (18) | |
F4 | 1.2544 (8) | 0.3386 (7) | 0.9953 (4) | 0.079 (2) | |
N1 | 0.5148 (8) | 0.3554 (8) | 0.1793 (5) | 0.043 (2) | |
N2 | 0.5348 (9) | 0.4724 (7) | 0.1718 (6) | 0.048 (2) | |
N3 | 0.4536 (8) | 0.4152 (7) | 0.2976 (5) | 0.041 (2) | |
N4 | 1.1903 (9) | 0.4025 (7) | 0.4804 (5) | 0.041 (2) | |
N5 | 1.0061 (8) | 0.3403 (6) | 0.5307 (5) | 0.0335 (18) | |
N6 | 1.0891 (8) | 0.4430 (6) | 0.5911 (5) | 0.0345 (18) | |
N7 | 1.1616 (8) | 0.4340 (7) | 0.2632 (5) | 0.041 (2) | |
N8 | 1.0182 (9) | 0.4016 (9) | 0.1051 (6) | 0.054 (2) | |
N9 | 0.9478 (8) | 0.4220 (7) | 0.1671 (5) | 0.0388 (19) | |
N10 | 0.7509 (8) | −0.2201 (7) | 0.6379 (5) | 0.0393 (19) | |
N11 | 0.8367 (9) | −0.0419 (7) | 0.7239 (6) | 0.048 (2) | |
N12 | 0.7677 (8) | −0.0339 (7) | 0.6293 (5) | 0.0381 (19) | |
O1 | 0.7534 (7) | 0.2765 (6) | 0.2468 (4) | 0.0446 (17) | |
H1 | 0.6956 | 0.2212 | 0.2602 | 0.067* | |
O2 | 0.9802 (7) | 0.1089 (6) | 0.5651 (4) | 0.0417 (16) | |
H2 | 0.9323 | 0.0797 | 0.5087 | 0.063* | |
O3 | 0.5759 (12) | 0.8041 (10) | 0.3197 (8) | 0.106 (4) | |
H3A | 0.5660 | 0.8728 | 0.3247 | 0.127* | |
H3B | 0.5394 | 0.7628 | 0.3585 | 0.127* | |
O4 | 0.1267 (8) | 0.9438 (6) | 0.6285 (5) | 0.055 (2) | |
H4A | 0.0960 | 0.9921 | 0.6543 | 0.065* | |
H4B | 0.2165 | 0.9582 | 0.6394 | 0.065* | |
C1 | 0.7769 (15) | 0.0150 (10) | −0.0176 (9) | 0.061 (3) | |
C2 | 0.7008 (14) | 0.0812 (11) | −0.0685 (8) | 0.061 (3) | |
H2A | 0.6611 | 0.0669 | −0.1366 | 0.073* | |
C3 | 0.6831 (12) | 0.1716 (11) | −0.0163 (8) | 0.055 (3) | |
C4 | 0.7305 (10) | 0.1914 (8) | 0.0866 (6) | 0.037 (2) | |
C5 | 0.8047 (12) | 0.1152 (9) | 0.1326 (7) | 0.048 (3) | |
H5 | 0.8379 | 0.1228 | 0.2009 | 0.058* | |
C6 | 0.8309 (14) | 0.0295 (9) | 0.0817 (8) | 0.059 (3) | |
H6 | 0.8848 | −0.0178 | 0.1146 | 0.071* | |
C7 | 0.7064 (10) | 0.2849 (8) | 0.1446 (6) | 0.038 (2) | |
C8 | 0.5481 (11) | 0.2778 (9) | 0.1112 (7) | 0.044 (2) | |
H8A | 0.5219 | 0.3018 | 0.0456 | 0.053* | |
H8B | 0.4911 | 0.1963 | 0.1083 | 0.053* | |
C9 | 0.4661 (10) | 0.3227 (9) | 0.2527 (7) | 0.043 (2) | |
H9 | 0.4441 | 0.2460 | 0.2701 | 0.051* | |
C10 | 0.4963 (11) | 0.5041 (9) | 0.2440 (7) | 0.045 (2) | |
H10 | 0.4978 | 0.5816 | 0.2584 | 0.054* | |
C11 | 1.1463 (11) | 0.4096 (10) | 0.1657 (7) | 0.050 (3) | |
H11 | 1.2202 | 0.3997 | 0.1446 | 0.060* | |
C12 | 1.0311 (11) | 0.4394 (8) | 0.2601 (7) | 0.042 (2) | |
H12 | 1.0035 | 0.4532 | 0.3144 | 0.051* | |
C13 | 0.7955 (10) | 0.4106 (9) | 0.1330 (7) | 0.045 (3) | |
H13A | 0.7669 | 0.4244 | 0.0644 | 0.054* | |
H13B | 0.7766 | 0.4699 | 0.1706 | 0.054* | |
C14 | 0.9018 (10) | 0.1666 (8) | 0.6051 (6) | 0.035 (2) | |
C15 | 0.9956 (10) | 0.2149 (8) | 0.7112 (6) | 0.036 (2) | |
C16 | 0.9466 (11) | 0.2552 (8) | 0.7784 (7) | 0.043 (2) | |
C17 | 1.0282 (12) | 0.2959 (9) | 0.8753 (6) | 0.047 (3) | |
H17 | 0.9900 | 0.3211 | 0.9202 | 0.056* | |
C18 | 1.1686 (12) | 0.2967 (10) | 0.9008 (6) | 0.050 (3) | |
C19 | 1.2280 (12) | 0.2644 (9) | 0.8356 (7) | 0.052 (3) | |
H19 | 1.3248 | 0.2691 | 0.8550 | 0.062* | |
C20 | 1.1427 (10) | 0.2248 (8) | 0.7411 (7) | 0.040 (2) | |
H20 | 1.1826 | 0.2039 | 0.6955 | 0.048* | |
C21 | 0.7561 (10) | 0.0805 (8) | 0.5970 (7) | 0.043 (2) | |
H21A | 0.7120 | 0.1149 | 0.6367 | 0.052* | |
H21B | 0.6944 | 0.0683 | 0.5292 | 0.052* | |
C22 | 0.7170 (11) | −0.1387 (9) | 0.5789 (7) | 0.045 (3) | |
H22 | 0.6653 | −0.1546 | 0.5122 | 0.054* | |
C23 | 0.8252 (11) | −0.1510 (9) | 0.7257 (7) | 0.046 (3) | |
H23 | 0.8644 | −0.1822 | 0.7827 | 0.056* | |
C24 | 1.0684 (10) | 0.3188 (8) | 0.4666 (6) | 0.038 (2) | |
H24 | 1.0314 | 0.2539 | 0.4187 | 0.046* | |
C25 | 1.1980 (11) | 0.4760 (8) | 0.5568 (6) | 0.038 (2) | |
H25 | 1.2742 | 0.5445 | 0.5829 | 0.045* | |
C26 | 0.8744 (10) | 0.2674 (8) | 0.5427 (7) | 0.038 (2) | |
H26A | 0.8054 | 0.2338 | 0.4787 | 0.046* | |
H26B | 0.8341 | 0.3160 | 0.5745 | 0.046* |