| x | y | z | Uiso*/Ueq | ||
| Ru1 | 0.14364 (3) | 0.83889 (3) | 0.44793 (2) | 0.01034 (11) | |
| Cl1 | 0.3688 (2) | 0.7926 (2) | 0.49401 (15) | 0.0171 (4) | |
| O1 | 0.0772 (6) | 0.7426 (6) | 0.5592 (4) | 0.0124 (11) | |
| O2 | 0.0867 (6) | 0.6470 (5) | 0.3196 (4) | 0.0165 (12) | |
| C1 | −0.0099 (9) | 0.9619 (9) | 0.4831 (7) | 0.0163 (12) | |
| C2 | −0.0163 (10) | 0.9068 (9) | 0.3639 (6) | 0.0167 (11) | |
| H2 | −0.1058 | 0.8554 | 0.3142 | 0.020* | |
| C3 | 0.1045 (9) | 0.9267 (8) | 0.3198 (6) | 0.0167 (11) | |
| H3 | 0.0959 | 0.8882 | 0.2407 | 0.020* | |
| C4 | 0.2426 (9) | 1.0043 (9) | 0.3907 (7) | 0.0163 (12) | |
| C5 | 0.2486 (9) | 1.0584 (8) | 0.5096 (7) | 0.0169 (13) | |
| H5 | 0.3381 | 1.1089 | 0.5596 | 0.020* | |
| C6 | 0.1293 (8) | 1.0392 (8) | 0.5525 (6) | 0.0123 (12) | |
| H6 | 0.1383 | 1.0785 | 0.6316 | 0.015* | |
| C7 | −0.1356 (8) | 0.9335 (9) | 0.5332 (7) | 0.0178 (17) | |
| H7 | −0.1003 | 0.9336 | 0.6103 | 0.021* | |
| C8 | −0.2081 (11) | 1.0542 (10) | 0.5469 (9) | 0.033 (2) | |
| H8A | −0.2423 | 1.0576 | 0.4725 | 0.050* | |
| H8B | −0.1386 | 1.1423 | 0.5936 | 0.050* | |
| H8C | −0.2889 | 1.0382 | 0.5830 | 0.050* | |
| C9 | −0.2507 (9) | 0.7956 (9) | 0.4684 (8) | 0.0239 (18) | |
| H9A | −0.3281 | 0.7874 | 0.5089 | 0.036* | |
| H9B | −0.2084 | 0.7184 | 0.4623 | 0.036* | |
| H9C | −0.2886 | 0.7933 | 0.3928 | 0.036* | |
| C10 | 0.3731 (9) | 1.0207 (9) | 0.3443 (8) | 0.0237 (18) | |
| H10A | 0.4118 | 1.1182 | 0.3540 | 0.036* | |
| H10B | 0.3495 | 0.9643 | 0.2640 | 0.036* | |
| H10C | 0.4443 | 0.9904 | 0.3844 | 0.036* | |
| C11 | 0.0264 (8) | 0.6110 (8) | 0.5354 (6) | 0.0142 (15) | |
| C12 | −0.0215 (8) | 0.5737 (8) | 0.6320 (6) | 0.0155 (15) | |
| C13 | 0.0235 (8) | 0.4731 (8) | 0.6649 (6) | 0.0174 (15) | |
| H13 | 0.0810 | 0.4240 | 0.6236 | 0.021* | |
| C14 | −0.0142 (8) | 0.4439 (8) | 0.7564 (6) | 0.0240 (16) | |
| H14 | 0.0166 | 0.3749 | 0.7783 | 0.029* | |
| C15 | −0.0977 (8) | 0.5162 (8) | 0.8164 (6) | 0.0216 (15) | |
| H15 | −0.1226 | 0.4974 | 0.8804 | 0.026* | |
| C16 | −0.1451 (9) | 0.6153 (9) | 0.7845 (6) | 0.0241 (17) | |
| H16 | −0.2046 | 0.6623 | 0.8248 | 0.029* | |
| C17 | −0.1043 (8) | 0.6456 (8) | 0.6919 (6) | 0.0152 (15) | |
| H17 | −0.1338 | 0.7156 | 0.6706 | 0.018* | |
| C18 | 0.0064 (8) | 0.5095 (8) | 0.4311 (6) | 0.0140 (14) | |
| C19 | 0.0341 (8) | 0.5356 (8) | 0.3317 (6) | 0.0126 (14) | |
| C20 | −0.0353 (6) | 0.4018 (5) | 0.2333 (4) | 0.0164 (10) | |
| C21 | −0.0127 (6) | 0.2937 (5) | 0.2883 (4) | 0.0183 (10) | |
| C22 | −0.0807 (6) | 0.3561 (5) | 0.3890 (4) | 0.0172 (10) | |
| H22 | −0.0800 | 0.3109 | 0.4471 | 0.021* | |
| C23 | −0.2285 (6) | 0.3514 (5) | 0.3298 (4) | 0.0192 (10) | |
| H23A | −0.2683 | 0.4205 | 0.3786 | 0.023* | |
| H23B | −0.2957 | 0.2583 | 0.3075 | 0.023* | |
| C24 | −0.1973 (5) | 0.3875 (5) | 0.2251 (4) | 0.0175 (10) | |
| H24A | −0.2192 | 0.4753 | 0.2274 | 0.021* | |
| H24B | −0.2542 | 0.3129 | 0.1546 | 0.021* | |
| C25 | 0.0181 (9) | 0.3967 (9) | 0.1269 (6) | 0.0229 (18) | |
| H25A | 0.0018 | 0.4739 | 0.1048 | 0.034* | |
| H25B | −0.0334 | 0.3090 | 0.0664 | 0.034* | |
| H25C | 0.1204 | 0.4039 | 0.1405 | 0.034* | |
| C26 | −0.0953 (9) | 0.1438 (8) | 0.2157 (7) | 0.0236 (17) | |
| H26A | −0.0790 | 0.0823 | 0.2569 | 0.035* | |
| H26B | −0.0620 | 0.1168 | 0.1452 | 0.035* | |
| H26C | −0.1974 | 0.1366 | 0.1989 | 0.035* | |
| C27 | 0.1446 (6) | 0.3002 (6) | 0.3233 (5) | 0.0255 (12) | |
| H27A | 0.1989 | 0.3960 | 0.3676 | 0.038* | |
| H27B | 0.1824 | 0.2670 | 0.2558 | 0.038* | |
| H27C | 0.1529 | 0.2417 | 0.3688 | 0.038* | |
| Ru2 | 0.32581 (3) | 0.12766 (3) | 0.89620 (2) | 0.00965 (11) | |
| Cl2 | 0.1007 (2) | 0.1732 (2) | 0.84692 (15) | 0.0175 (4) | |
| O3 | 0.3958 (6) | 0.2229 (5) | 0.7863 (4) | 0.0128 (11) | |
| O4 | 0.3740 (6) | 0.3211 (6) | 1.0232 (4) | 0.0120 (11) | |
| C28 | 0.4792 (8) | 0.0063 (8) | 0.8589 (6) | 0.0120 (10) | |
| C29 | 0.4905 (9) | 0.0603 (8) | 0.9753 (6) | 0.0140 (12) | |
| H29 | 0.5809 | 0.1113 | 1.0237 | 0.017* | |
| C30 | 0.3639 (8) | 0.0387 (8) | 1.0228 (6) | 0.0134 (12) | |
| H30 | 0.3733 | 0.0777 | 1.1020 | 0.016* | |
| C31 | 0.2307 (8) | −0.0369 (8) | 0.9555 (6) | 0.0120 (10) | |
| C32 | 0.2195 (8) | −0.0920 (8) | 0.8365 (6) | 0.0127 (11) | |
| H32 | 0.1285 | −0.1421 | 0.7887 | 0.015* | |
| C33 | 0.3411 (9) | −0.0737 (8) | 0.7879 (6) | 0.0127 (11) | |
| H33 | 0.3314 | −0.1141 | 0.7088 | 0.015* | |
| C34 | 0.6049 (8) | 0.0281 (9) | 0.8037 (7) | 0.0173 (16) | |
| H34 | 0.5684 | 0.0286 | 0.7271 | 0.021* | |
| C35 | 0.7144 (10) | 0.1657 (10) | 0.8690 (8) | 0.030 (2) | |
| H35A | 0.6654 | 0.2367 | 0.8971 | 0.045* | |
| H35B | 0.7740 | 0.1919 | 0.8194 | 0.045* | |
| H35C | 0.7745 | 0.1574 | 0.9328 | 0.045* | |
| C36 | 0.6654 (10) | −0.0953 (11) | 0.7886 (8) | 0.030 (2) | |
| H36A | 0.6936 | −0.1035 | 0.8621 | 0.046* | |
| H36B | 0.7489 | −0.0823 | 0.7549 | 0.046* | |
| H36C | 0.5927 | −0.1797 | 0.7390 | 0.046* | |
| C37 | 0.0993 (10) | −0.0538 (10) | 1.0041 (7) | 0.027 (2) | |
| H37A | 0.0776 | −0.1431 | 1.0152 | 0.040* | |
| H37B | 0.0186 | −0.0505 | 0.9520 | 0.040* | |
| H37C | 0.1162 | 0.0211 | 1.0766 | 0.040* | |
| C38 | 0.4313 (8) | 0.3543 (8) | 0.8048 (6) | 0.0110 (14) | |
| C39 | 0.4676 (8) | 0.3908 (8) | 0.7070 (6) | 0.0116 (13) | |
| C40 | 0.5570 (8) | 0.3281 (8) | 0.6450 (6) | 0.0164 (15) | |
| H40 | 0.5960 | 0.2631 | 0.6669 | 0.020* | |
| C41 | 0.5898 (8) | 0.3590 (8) | 0.5526 (6) | 0.0195 (15) | |
| H41 | 0.6546 | 0.3190 | 0.5136 | 0.023* | |
| C42 | 0.5275 (9) | 0.4492 (9) | 0.5163 (6) | 0.031 (2) | |
| H42 | 0.5463 | 0.4670 | 0.4505 | 0.037* | |
| C43 | 0.4391 (8) | 0.5120 (7) | 0.5758 (6) | 0.0229 (16) | |
| H43 | 0.3980 | 0.5742 | 0.5513 | 0.028* | |
| C44 | 0.4092 (8) | 0.4853 (8) | 0.6722 (6) | 0.0178 (15) | |
| H44 | 0.3497 | 0.5308 | 0.7139 | 0.021* | |
| C45 | 0.4363 (8) | 0.4568 (8) | 0.9050 (6) | 0.0129 (13) | |
| C46 | 0.4133 (8) | 0.4318 (7) | 1.0041 (6) | 0.0145 (15) | |
| C47 | 0.4402 (6) | 0.5739 (5) | 1.0964 (4) | 0.0146 (10) | |
| C48 | 0.3087 (6) | 0.6237 (5) | 1.0558 (4) | 0.0187 (10) | |
| H48A | 0.2185 | 0.5495 | 1.0360 | 0.022* | |
| H48B | 0.3013 | 0.7066 | 1.1153 | 0.022* | |
| C49 | 0.3407 (6) | 0.6578 (5) | 0.9512 (4) | 0.0197 (10) | |
| H49A | 0.3569 | 0.7579 | 0.9648 | 0.024* | |
| H49B | 0.2622 | 0.6045 | 0.8844 | 0.024* | |
| C50 | 0.4792 (6) | 0.6123 (5) | 0.9367 (4) | 0.0146 (10) | |
| H50 | 0.5329 | 0.6475 | 0.8856 | 0.018* | |
| C51 | 0.5615 (6) | 0.6616 (5) | 1.0609 (4) | 0.0139 (9) | |
| C52 | 0.4574 (9) | 0.5748 (9) | 1.2163 (6) | 0.0194 (17) | |
| H52A | 0.5369 | 0.5370 | 1.2330 | 0.029* | |
| H52B | 0.3694 | 0.5180 | 1.2247 | 0.029* | |
| H52C | 0.4771 | 0.6700 | 1.2687 | 0.029* | |
| C53 | 0.5972 (8) | 0.8174 (8) | 1.1258 (6) | 0.0191 (15) | |
| H53A | 0.6490 | 0.8386 | 1.2028 | 0.029* | |
| H53B | 0.5087 | 0.8456 | 1.1281 | 0.029* | |
| H53C | 0.6566 | 0.8678 | 1.0879 | 0.029* | |
| C54 | 0.7017 (6) | 0.6204 (5) | 1.0730 (5) | 0.0189 (10) | |
| H54A | 0.6832 | 0.5210 | 1.0321 | 0.028* | |
| H54B | 0.7414 | 0.6415 | 1.1529 | 0.028* | |
| H54C | 0.7700 | 0.6724 | 1.0417 | 0.028* |