| x | y | z | Uiso*/Ueq | ||
| C1 | 0.50019 (6) | 0.26912 (11) | 0.95475 (8) | 0.0164 | |
| C2 | 0.54654 (6) | 0.20061 (11) | 0.93269 (8) | 0.0149 | |
| C3 | 0.53732 (6) | 0.08279 (11) | 0.91462 (8) | 0.0167 | |
| C4 | 0.57355 (6) | 0.02376 (11) | 0.88215 (8) | 0.0170 | |
| C5 | 0.61874 (6) | 0.08366 (11) | 0.86547 (8) | 0.0168 | |
| C6 | 0.62966 (6) | 0.20102 (11) | 0.88333 (8) | 0.0148 | |
| C7 | 0.67218 (6) | 0.27004 (11) | 0.85493 (8) | 0.0163 | |
| C8 | 0.62887 (6) | 0.33794 (11) | 0.77464 (8) | 0.0143 | |
| C9 | 0.61781 (6) | 0.45548 (11) | 0.77855 (8) | 0.0160 | |
| C10 | 0.57288 (6) | 0.51528 (11) | 0.70662 (8) | 0.0164 | |
| C11 | 0.53667 (6) | 0.45584 (11) | 0.63009 (8) | 0.0159 | |
| C12 | 0.54589 (6) | 0.33795 (11) | 0.62379 (8) | 0.0144 | |
| C13 | 0.59403 (6) | 0.28149 (10) | 0.69587 (8) | 0.0137 | |
| C14 | 0.59478 (6) | 0.25714 (10) | 0.91977 (8) | 0.0145 | |
| C15 | 0.55982 (8) | −0.10064 (12) | 0.85763 (10) | 0.0239 | |
| C16 | 0.56055 (8) | 0.64034 (12) | 0.71362 (10) | 0.0231 | |
| O17 | 0.60538 (4) | 0.37378 (8) | 0.93772 (6) | 0.0152 | |
| C18 | 0.65446 (7) | 0.39656 (12) | 1.02414 (8) | 0.0203 | |
| C19 | 0.66500 (8) | 0.52464 (13) | 1.03584 (10) | 0.0267 | |
| C20 | 0.71259 (8) | 0.55535 (15) | 1.12794 (11) | 0.0327 | |
| O21 | 0.60378 (5) | 0.16480 (8) | 0.69063 (6) | 0.0160 | |
| C22 | 0.65246 (7) | 0.13892 (11) | 0.66358 (9) | 0.0186 | |
| C23 | 0.64766 (7) | 0.01154 (13) | 0.64361 (10) | 0.0246 | |
| C24 | 0.69974 (8) | −0.02954 (15) | 0.61997 (11) | 0.0314 | |
| Cl25 | 0.61811 (3) | −0.19788 (3) | 0.93509 (3) | 0.0381 | |
| Cl26 | 0.62004 (3) | 0.73262 (3) | 0.70485 (3) | 0.0407 | |
| H11 | 0.5243 | 0.3212 | 1.0025 | 0.0157* | |
| H12 | 0.4747 | 0.2162 | 0.9728 | 0.0143* | |
| H31 | 0.5042 | 0.0438 | 0.9235 | 0.0150* | |
| H51 | 0.6414 | 0.0427 | 0.8393 | 0.0158* | |
| H72 | 0.7020 | 0.3210 | 0.9014 | 0.0138* | |
| H71 | 0.6988 | 0.2163 | 0.8411 | 0.0144* | |
| H91 | 0.6406 | 0.4933 | 0.8305 | 0.0136* | |
| H111 | 0.5048 | 0.4966 | 0.5830 | 0.0128* | |
| H151 | 0.5183 | −0.1218 | 0.8522 | 0.0232* | |
| H152 | 0.5596 | −0.1137 | 0.8038 | 0.0233* | |
| H162 | 0.5642 | 0.6536 | 0.7693 | 0.0219* | |
| H161 | 0.5193 | 0.6646 | 0.6685 | 0.0223* | |
| H181 | 0.6947 | 0.3556 | 1.0335 | 0.0207* | |
| H182 | 0.6413 | 0.3680 | 1.0656 | 0.0205* | |
| H192 | 0.6830 | 0.5531 | 0.9985 | 0.0289* | |
| H191 | 0.6222 | 0.5628 | 1.0206 | 0.0279* | |
| H201 | 0.7230 | 0.6366 | 1.1318 | 0.0433* | |
| H203 | 0.7532 | 0.5123 | 1.1473 | 0.0441* | |
| H202 | 0.6935 | 0.5370 | 1.1652 | 0.0450* | |
| H221 | 0.6956 | 0.1595 | 0.7082 | 0.0178* | |
| H222 | 0.6420 | 0.1815 | 0.6115 | 0.0173* | |
| H231 | 0.6530 | −0.0287 | 0.6945 | 0.0258* | |
| H232 | 0.6051 | −0.0045 | 0.5971 | 0.0253* | |
| H242 | 0.6953 | −0.1109 | 0.6068 | 0.0429* | |
| H241 | 0.7421 | −0.0116 | 0.6648 | 0.0429* | |
| H243 | 0.6957 | 0.0125 | 0.5702 | 0.0441* |