| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.72422 (6) | 0.23879 (6) | 0.46250 (5) | 0.08035 (18) | |
| Cl2 | 0.14184 (5) | 0.45480 (9) | 0.57917 (6) | 0.1019 (3) | |
| O1 | 0.10827 (16) | 0.35212 (16) | 0.86276 (14) | 0.0787 (4) | |
| N1 | 0.22996 (13) | 0.84151 (14) | 1.00579 (11) | 0.0461 (3) | |
| N2 | 0.35901 (14) | 0.86410 (14) | 0.93127 (12) | 0.0496 (3) | |
| C1 | 0.4853 (2) | 0.3081 (2) | 0.76848 (16) | 0.0634 (5) | |
| H1A | 0.5039 | 0.2962 | 0.8459 | 0.076* | |
| C2 | 0.6034 (2) | 0.2677 (2) | 0.68476 (17) | 0.0677 (5) | |
| H2A | 0.7000 | 0.2286 | 0.7056 | 0.081* | |
| C3 | 0.57655 (18) | 0.28591 (17) | 0.57036 (15) | 0.0537 (4) | |
| C4 | 0.43478 (18) | 0.34217 (18) | 0.53839 (16) | 0.0565 (4) | |
| H4A | 0.4175 | 0.3541 | 0.4606 | 0.068* | |
| C5 | 0.31849 (17) | 0.38071 (18) | 0.62408 (16) | 0.0526 (4) | |
| C6 | 0.33961 (17) | 0.36581 (16) | 0.74104 (14) | 0.0470 (3) | |
| C7 | 0.21224 (19) | 0.40361 (18) | 0.83561 (15) | 0.0536 (4) | |
| C8 | 0.21287 (19) | 0.50151 (19) | 0.89386 (15) | 0.0570 (4) | |
| H8A | 0.1421 | 0.5086 | 0.9621 | 0.068* | |
| C9 | 0.30613 (17) | 0.58143 (16) | 0.85751 (13) | 0.0466 (3) | |
| H9A | 0.3819 | 0.5680 | 0.7937 | 0.056* | |
| C10 | 0.30113 (16) | 0.68689 (16) | 0.90744 (13) | 0.0452 (3) | |
| C11 | 0.19295 (17) | 0.73726 (17) | 0.99304 (14) | 0.0481 (3) | |
| H11A | 0.1098 | 0.7049 | 1.0343 | 0.058* | |
| C12 | 0.40123 (16) | 0.77075 (16) | 0.87221 (14) | 0.0452 (3) | |
| C13 | 0.53890 (16) | 0.76264 (17) | 0.78363 (14) | 0.0478 (3) | |
| C14 | 0.5637 (2) | 0.8813 (2) | 0.68817 (19) | 0.0703 (5) | |
| H14A | 0.4923 | 0.9684 | 0.6784 | 0.084* | |
| C15 | 0.6947 (3) | 0.8706 (3) | 0.6070 (2) | 0.0862 (7) | |
| H15A | 0.7098 | 0.9505 | 0.5420 | 0.103* | |
| C16 | 0.8019 (2) | 0.7449 (3) | 0.6209 (2) | 0.0785 (6) | |
| H16A | 0.8902 | 0.7395 | 0.5666 | 0.094* | |
| C17 | 0.7792 (2) | 0.6270 (2) | 0.71462 (19) | 0.0711 (5) | |
| H17A | 0.8523 | 0.5410 | 0.7244 | 0.085* | |
| C18 | 0.64774 (18) | 0.6348 (2) | 0.79530 (16) | 0.0580 (4) | |
| H18A | 0.6323 | 0.5535 | 0.8580 | 0.070* | |
| C19 | 0.15658 (16) | 0.92254 (17) | 1.08631 (14) | 0.0488 (4) | |
| C20 | 0.03696 (19) | 0.8896 (2) | 1.17154 (17) | 0.0612 (4) | |
| H20A | 0.0011 | 0.8173 | 1.1752 | 0.073* | |
| C21 | −0.0289 (2) | 0.9666 (3) | 1.25176 (19) | 0.0756 (6) | |
| H21A | −0.1097 | 0.9455 | 1.3097 | 0.091* | |
| C22 | 0.0236 (2) | 1.0730 (3) | 1.2467 (2) | 0.0799 (6) | |
| H22A | −0.0205 | 1.1228 | 1.3018 | 0.096* | |
| C23 | 0.1411 (2) | 1.1064 (2) | 1.1603 (2) | 0.0755 (6) | |
| H23A | 0.1757 | 1.1797 | 1.1561 | 0.091* | |
| C24 | 0.2084 (2) | 1.03114 (19) | 1.07925 (17) | 0.0609 (4) | |
| H24A | 0.2880 | 1.0538 | 1.0205 | 0.073* |