| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Rh1 | 0 | 0.5 | 0.5 | 0.01620 (12) | |
| Rh2 | 0 | 0 | 0 | 0.01681 (12) | |
| P1 | 0.17881 (11) | 0.45129 (8) | 0.59018 (4) | 0.0169 (2) | |
| P2 | 0.19028 (11) | 0.15093 (8) | −0.03218 (4) | 0.0169 (2) | |
| C1 | −0.0559 (14) | 0.3657 (10) | 0.4714 (6) | 0.034 (3) | 0.5 |
| C2 | 0.3688 (4) | 0.5602 (3) | 0.62055 (16) | 0.0169 (8) | |
| C3 | 0.4759 (4) | 0.6069 (3) | 0.57726 (17) | 0.0196 (8) | |
| H023 | 0.4495 | 0.579 | 0.5336 | 0.023* | |
| C4 | 0.6194 (4) | 0.6927 (3) | 0.59619 (18) | 0.0210 (8) | |
| H035 | 0.6927 | 0.7215 | 0.5663 | 0.025* | |
| C5 | 0.6553 (5) | 0.7363 (3) | 0.65925 (19) | 0.0228 (8) | |
| C6 | 0.5486 (5) | 0.6916 (3) | 0.70302 (18) | 0.0230 (8) | |
| H030 | 0.5727 | 0.7214 | 0.7462 | 0.028* | |
| C7 | 0.4080 (4) | 0.6042 (3) | 0.68391 (17) | 0.0198 (8) | |
| H047 | 0.3372 | 0.5738 | 0.7143 | 0.024* | |
| C8 | 0.8885 (6) | 0.8790 (4) | 0.6380 (2) | 0.0418 (12) | |
| H04A | 0.9481 | 0.8272 | 0.6187 | 0.063* | |
| H04B | 0.9769 | 0.9412 | 0.6604 | 0.063* | |
| H04C | 0.8091 | 0.9069 | 0.604 | 0.063* | |
| C9 | 0.2703 (4) | 0.3274 (3) | 0.58447 (16) | 0.0179 (8) | |
| C10 | 0.4508 (4) | 0.3317 (3) | 0.58604 (16) | 0.0184 (8) | |
| H048 | 0.5295 | 0.4016 | 0.5905 | 0.022* | |
| C11 | 0.5171 (5) | 0.2356 (3) | 0.58120 (17) | 0.0221 (8) | |
| H036 | 0.64 | 0.2404 | 0.5823 | 0.027* | |
| C12 | 0.4043 (5) | 0.1327 (3) | 0.57470 (17) | 0.0220 (8) | |
| C13 | 0.2238 (5) | 0.1265 (3) | 0.57155 (18) | 0.0233 (8) | |
| H022 | 0.1452 | 0.0565 | 0.5662 | 0.028* | |
| C14 | 0.1590 (4) | 0.2230 (3) | 0.57627 (17) | 0.0222 (8) | |
| H046 | 0.0355 | 0.2178 | 0.5739 | 0.027* | |
| C15 | 0.3688 (6) | −0.0645 (3) | 0.5660 (2) | 0.0342 (10) | |
| H05J | 0.3069 | −0.0728 | 0.6029 | 0.051* | |
| H05K | 0.44 | −0.1216 | 0.5657 | 0.051* | |
| H05L | 0.2822 | −0.0724 | 0.5259 | 0.051* | |
| C16 | 0.0517 (4) | 0.4249 (3) | 0.65485 (16) | 0.0174 (8) | |
| C17 | 0.0822 (4) | 0.3493 (3) | 0.70175 (17) | 0.0212 (8) | |
| H034 | 0.1791 | 0.3132 | 0.7026 | 0.025* | |
| C18 | −0.0271 (4) | 0.3261 (3) | 0.74719 (17) | 0.0210 (8) | |
| H033 | −0.0038 | 0.2751 | 0.7793 | 0.025* | |
| C19 | −0.1717 (4) | 0.3776 (3) | 0.74576 (17) | 0.0192 (8) | |
| C20 | −0.1985 (4) | 0.4567 (3) | 0.70120 (17) | 0.0190 (8) | |
| H043 | −0.2924 | 0.4951 | 0.7016 | 0.023* | |
| C21 | −0.0880 (4) | 0.4794 (3) | 0.65610 (17) | 0.0197 (8) | |
| H014 | −0.1077 | 0.5333 | 0.6254 | 0.024* | |
| C22 | −0.4399 (4) | 0.3816 (4) | 0.78430 (18) | 0.0257 (9) | |
| H04D | −0.4143 | 0.4615 | 0.7948 | 0.039* | |
| H04E | −0.5113 | 0.3433 | 0.8143 | 0.039* | |
| H04F | −0.5052 | 0.3664 | 0.7401 | 0.039* | |
| C23 | −0.0457 (15) | −0.0644 (11) | −0.0774 (5) | 0.020 (2) | 0.5 |
| C24 | 0.0810 (4) | 0.2656 (3) | −0.05056 (17) | 0.0174 (8) | |
| C25 | 0.1519 (4) | 0.3536 (3) | −0.08578 (17) | 0.0196 (8) | |
| H037 | 0.2597 | 0.353 | −0.1006 | 0.024* | |
| C26 | 0.0674 (4) | 0.4416 (3) | −0.09933 (17) | 0.0184 (8) | |
| H019 | 0.1175 | 0.5006 | −0.1232 | 0.022* | |
| C27 | −0.0899 (4) | 0.4437 (3) | −0.07806 (17) | 0.0170 (7) | |
| C28 | −0.1621 (4) | 0.3576 (3) | −0.04193 (17) | 0.0195 (8) | |
| H044 | −0.2683 | 0.3594 | −0.0262 | 0.023* | |
| C29 | −0.0769 (4) | 0.2694 (3) | −0.02936 (17) | 0.0172 (8) | |
| H017 | −0.1276 | 0.2102 | −0.0057 | 0.021* | |
| C30 | −0.1136 (5) | 0.6129 (3) | −0.12824 (19) | 0.0253 (9) | |
| H05D | 0.0028 | 0.6508 | −0.1055 | 0.038* | |
| H05E | −0.1928 | 0.6659 | −0.1347 | 0.038* | |
| H05F | −0.102 | 0.5823 | −0.1702 | 0.038* | |
| C31 | 0.2855 (4) | 0.1317 (3) | −0.10391 (17) | 0.0172 (8) | |
| C32 | 0.1737 (4) | 0.1092 (3) | −0.16402 (17) | 0.0196 (8) | |
| H021 | 0.0512 | 0.1087 | −0.1671 | 0.023* | |
| C33 | 0.2403 (5) | 0.0879 (3) | −0.21875 (18) | 0.0239 (9) | |
| H026 | 0.1636 | 0.0744 | −0.2593 | 0.029* | |
| C34 | 0.4202 (5) | 0.0860 (3) | −0.21482 (18) | 0.0225 (8) | |
| C35 | 0.5329 (4) | 0.1102 (3) | −0.15605 (17) | 0.0207 (8) | |
| H016 | 0.6556 | 0.1114 | −0.153 | 0.025* | |
| C36 | 0.4641 (4) | 0.1327 (3) | −0.10139 (17) | 0.0182 (8) | |
| H041 | 0.5418 | 0.1493 | −0.0612 | 0.022* | |
| C37 | 0.6495 (6) | 0.0500 (4) | −0.2687 (2) | 0.0389 (11) | |
| H05A | 0.727 | 0.1218 | −0.2545 | 0.058* | |
| H05B | 0.6674 | 0.0277 | −0.3116 | 0.058* | |
| H05C | 0.6775 | −0.0058 | −0.2382 | 0.058* | |
| C38 | 0.3798 (4) | 0.2067 (3) | 0.03055 (17) | 0.0178 (8) | |
| C39 | 0.4737 (5) | 0.1321 (3) | 0.06249 (17) | 0.0224 (8) | |
| H031 | 0.4463 | 0.0563 | 0.0479 | 0.027* | |
| C40 | 0.6072 (5) | 0.1675 (3) | 0.11553 (18) | 0.0222 (8) | |
| H054 | 0.6728 | 0.1167 | 0.136 | 0.027* | |
| C41 | 0.6431 (4) | 0.2766 (3) | 0.13794 (17) | 0.0187 (8) | |
| C42 | 0.5510 (4) | 0.3518 (3) | 0.10570 (18) | 0.0194 (8) | |
| H018 | 0.5768 | 0.4274 | 0.1207 | 0.023* | |
| C43 | 0.4228 (4) | 0.3165 (3) | 0.05225 (18) | 0.0190 (8) | |
| H032 | 0.3633 | 0.3686 | 0.03 | 0.023* | |
| C44 | 0.8474 (5) | 0.2447 (4) | 0.22982 (19) | 0.0304 (10) | |
| H05G | 0.7578 | 0.1861 | 0.2427 | 0.046* | |
| H05H | 0.922 | 0.2847 | 0.2684 | 0.046* | |
| H05I | 0.9207 | 0.2117 | 0.2047 | 0.046* | |
| O1 | −0.1082 (16) | 0.2772 (11) | 0.4481 (7) | 0.034 (3) | 0.5 |
| O2 | 0.7890 (3) | 0.8233 (2) | 0.68280 (13) | 0.0293 (7) | |
| O3 | 0.4817 (3) | 0.0430 (2) | 0.57075 (13) | 0.0283 (6) | |
| O4 | −0.2777 (3) | 0.3427 (2) | 0.78963 (12) | 0.0237 (6) | |
| O5 | −0.085 (2) | −0.1068 (14) | −0.1294 (5) | 0.037 (3) | 0.5 |
| O6 | −0.1854 (3) | 0.5247 (2) | −0.09059 (12) | 0.0209 (6) | |
| O7 | 0.4683 (4) | 0.0594 (3) | −0.27137 (13) | 0.0319 (7) | |
| O8 | 0.7629 (3) | 0.3197 (2) | 0.19171 (12) | 0.0231 (6) | |
| Cl1 | −0.0738 (4) | 0.3106 (4) | 0.4565 (2) | 0.0283 (11) | 0.5 |
| Cl2 | −0.0659 (5) | −0.0881 (4) | −0.10676 (18) | 0.0247 (9) | 0.5 |