| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.36938 (6) | 0.115051 (16) | −0.06836 (2) | 0.02685 (10) | |
| Cl2 | −0.07609 (5) | 0.067708 (15) | −0.04789 (3) | 0.02598 (10) | |
| Cl3 | −0.48776 (6) | 0.417277 (18) | 0.20176 (3) | 0.03522 (11) | |
| Cl4 | −0.02371 (6) | 0.385892 (18) | 0.22034 (3) | 0.03179 (11) | |
| N1 | 0.38706 (19) | 0.12141 (5) | 0.11169 (8) | 0.0220 (3) | |
| N2 | −0.07119 (18) | 0.36020 (5) | 0.04603 (8) | 0.0187 (3) | |
| C1 | 0.4098 (3) | 0.17400 (6) | 0.14528 (9) | 0.0208 (3) | |
| C2 | 0.2888 (3) | 0.21869 (6) | 0.12645 (10) | 0.0237 (3) | |
| C3 | 0.3395 (3) | 0.26575 (6) | 0.17308 (10) | 0.0255 (3) | |
| C4 | 0.5047 (3) | 0.26787 (6) | 0.23673 (10) | 0.0263 (3) | |
| C5 | 0.6246 (3) | 0.22303 (6) | 0.25421 (10) | 0.0240 (3) | |
| C6 | 0.5777 (3) | 0.17551 (6) | 0.20749 (9) | 0.0209 (3) | |
| C7 | 0.6640 (3) | 0.12206 (6) | 0.21095 (10) | 0.0216 (3) | |
| C8 | 0.8266 (3) | 0.09901 (7) | 0.26128 (10) | 0.0264 (3) | |
| C9 | 0.8666 (3) | 0.04476 (7) | 0.24977 (11) | 0.0284 (4) | |
| C10 | 0.7481 (3) | 0.01371 (6) | 0.18843 (11) | 0.0267 (4) | |
| C11 | 0.5848 (3) | 0.03562 (6) | 0.13764 (10) | 0.0246 (3) | |
| C12 | 0.5451 (3) | 0.08984 (6) | 0.15036 (10) | 0.0213 (3) | |
| C13 | 0.2646 (3) | 0.10640 (6) | 0.03541 (10) | 0.0205 (3) | |
| C14 | 0.0817 (3) | 0.08677 (6) | 0.04245 (10) | 0.0231 (3) | |
| C15 | −0.0809 (2) | 0.30780 (6) | 0.01076 (9) | 0.0184 (3) | |
| C16 | −0.2113 (3) | 0.26628 (6) | 0.02964 (10) | 0.0220 (3) | |
| C17 | −0.1905 (3) | 0.21842 (6) | −0.01740 (10) | 0.0243 (3) | |
| C18 | −0.0458 (3) | 0.21255 (6) | −0.08086 (10) | 0.0260 (3) | |
| C19 | 0.0838 (3) | 0.25415 (6) | −0.09896 (10) | 0.0246 (3) | |
| C20 | 0.0660 (3) | 0.30276 (6) | −0.05279 (9) | 0.0202 (3) | |
| C21 | 0.1688 (2) | 0.35412 (6) | −0.05645 (10) | 0.0210 (3) | |
| C22 | 0.3168 (3) | 0.37452 (7) | −0.10978 (11) | 0.0271 (4) | |
| C23 | 0.3715 (3) | 0.42804 (7) | −0.10051 (12) | 0.0305 (4) | |
| C24 | 0.2833 (3) | 0.46122 (6) | −0.03795 (12) | 0.0282 (4) | |
| C25 | 0.1378 (3) | 0.44174 (6) | 0.01656 (10) | 0.0230 (3) | |
| C26 | 0.0810 (2) | 0.38833 (6) | 0.00524 (10) | 0.0192 (3) | |
| C27 | −0.1707 (3) | 0.37955 (5) | 0.11931 (9) | 0.0188 (3) | |
| C28 | −0.3629 (3) | 0.39276 (6) | 0.11315 (11) | 0.0246 (3) | |
| H2 | 0.1793 | 0.2175 | 0.0877 | 0.0283* | |
| H3 | 0.2536 | 0.2973 | 0.1612 | 0.0286* | |
| H4 | 0.5326 | 0.3008 | 0.2696 | 0.0249* | |
| H5 | 0.7354 | 0.2243 | 0.2985 | 0.0314* | |
| H8 | 0.9082 | 0.1201 | 0.3026 | 0.0317* | |
| H9 | 0.9758 | 0.0285 | 0.2840 | 0.0341* | |
| H10 | 0.7797 | −0.0232 | 0.1812 | 0.0320* | |
| H11 | 0.5042 | 0.0144 | 0.0961 | 0.0295* | |
| H14 | 0.0347 | 0.0830 | 0.1011 | 0.0277* | |
| H16 | −0.3098 | 0.2704 | 0.0726 | 0.0264* | |
| H17 | −0.2766 | 0.1891 | −0.0062 | 0.0291* | |
| H18 | −0.0363 | 0.1794 | −0.1121 | 0.0312* | |
| H19 | 0.1825 | 0.2498 | −0.1417 | 0.0295* | |
| H22 | 0.3787 | 0.3520 | −0.1516 | 0.0325* | |
| H23 | 0.4702 | 0.4425 | −0.1371 | 0.0365* | |
| H24 | 0.3238 | 0.4978 | −0.0327 | 0.0338* | |
| H25 | 0.0795 | 0.4640 | 0.0597 | 0.0276* | |
| H28 | −0.4362 | 0.3885 | 0.0566 | 0.0295* |