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. 2010 Feb 13;66(Pt 3):m281. doi: 10.1107/S1600536810005015
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*