| x | y | z | Uiso*/Ueq | ||
| Mn1 | 0.500000 | 0.000000 | 0.750000 | 0.0722 (7) | |
| Cl1 | 0.37996 (17) | −0.06513 (19) | 0.69347 (9) | 0.0925 (8) | |
| Cl2 | 0.2523 (6) | 0.1511 (5) | 0.4325 (2) | 0.248 (4) | |
| C9 | 0.250000 | 0.2191 (18) | 0.375000 | 0.152 (9) | |
| H9 | 0.204 (11) | 0.254 (12) | 0.382 (8) | 0.182* | |
| N1 | 0.3681 (8) | 0.250000 | 0.625000 | 0.090 (3) | |
| C1 | 0.4291 (7) | 0.2541 (7) | 0.6760 (3) | 0.094 (3) | |
| H1A | 0.466853 | 0.194827 | 0.677948 | 0.112* | |
| H1B | 0.386692 | 0.255178 | 0.708408 | 0.112* | |
| C2 | 0.4966 (8) | 0.3374 (6) | 0.6802 (3) | 0.100 (3) | |
| H2A | 0.540087 | 0.337104 | 0.648222 | 0.120* | |
| H2B | 0.459916 | 0.397367 | 0.679322 | 0.120* | |
| C3 | 0.5535 (9) | 0.3328 (8) | 0.7322 (5) | 0.125 (4) | |
| H3A | 0.587481 | 0.271263 | 0.733181 | 0.150* | |
| H3B | 0.509107 | 0.334000 | 0.763696 | 0.150* | |
| C4 | 0.6252 (10) | 0.4116 (9) | 0.7396 (6) | 0.142 (5) | |
| H4A | 0.664940 | 0.416247 | 0.706657 | 0.213* | |
| H4B | 0.665249 | 0.397709 | 0.771501 | 0.213* | |
| H4C | 0.591855 | 0.471854 | 0.745395 | 0.213* | |
| C5 | 0.3081 (8) | 0.1621 (7) | 0.6308 (4) | 0.101 (3) | |
| H5A | 0.270075 | 0.167990 | 0.664871 | 0.121* | |
| H5B | 0.350980 | 0.106950 | 0.635531 | 0.121* | |
| C6 | 0.2413 (9) | 0.1411 (9) | 0.5839 (5) | 0.127 (4) | |
| H6A | 0.278449 | 0.128709 | 0.550114 | 0.152* | |
| H6B | 0.200173 | 0.196905 | 0.577132 | 0.152* | |
| C7 | 0.1799 (11) | 0.0552 (10) | 0.5969 (6) | 0.155 (5) | |
| H7A | 0.221001 | 0.001495 | 0.608109 | 0.186* | |
| H7B | 0.137194 | 0.070402 | 0.627982 | 0.186* | |
| C8 | 0.1215 (16) | 0.026 (2) | 0.5479 (8) | 0.260 (13) | |
| H8A | 0.162622 | 0.022088 | 0.515483 | 0.390* | |
| H8B | 0.071993 | 0.074082 | 0.541378 | 0.390* | |
| H8C | 0.091990 | −0.035380 | 0.554830 | 0.390* |