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. 2011 Oct 29;67(Pt 11):m1629–m1630. doi: 10.1107/S1600536811044229
x y z Uiso*/Ueq
Au1 0.234436 (10) 0.776500 (10) 0.653197 (10) 0.01426 (6)
S1 0.25387 (6) 0.94442 (7) 0.88645 (7) 0.01770 (16)
S2 0.04873 (6) 0.82819 (7) 0.68645 (7) 0.01689 (16)
P1 0.24564 (7) 0.61270 (7) 0.67150 (7) 0.01428 (16)
P2 0.32654 (7) 0.86933 (7) 0.57904 (7) 0.01350 (16)
N1 0.0585 (2) 0.9761 (2) 0.9150 (2) 0.0168 (5)
C1 0.1155 (3) 0.9217 (3) 0.8365 (3) 0.0156 (6)
C2 0.1115 (3) 1.0645 (3) 1.0418 (3) 0.0195 (7)
H2AB 0.1051 1.1446 1.0584 0.023*
H2AA 0.1903 1.0655 1.0614 0.023*
C3 0.0590 (3) 1.0359 (3) 1.1199 (3) 0.0192 (7)
H3AA 0.0737 0.9608 1.1113 0.023*
H3AB 0.0913 1.1005 1.2050 0.023*
C4 0.3628 (3) 0.6456 (3) 0.7941 (3) 0.0183 (7)
C5 0.4568 (3) 0.7301 (3) 0.8254 (3) 0.0215 (7)
H5AA 0.4581 0.7723 0.7854 0.026*
C6 0.5488 (3) 0.7527 (4) 0.9152 (3) 0.0285 (8)
H6AA 0.6130 0.8098 0.9357 0.034*
C7 0.5471 (3) 0.6927 (4) 0.9744 (3) 0.0311 (9)
H7AA 0.6101 0.7085 1.0357 0.037*
C8 0.4537 (3) 0.6093 (4) 0.9447 (3) 0.0301 (8)
H8AA 0.4526 0.5687 0.9863 0.036*
C9 0.3620 (3) 0.5849 (3) 0.8550 (3) 0.0238 (7)
H9AA 0.2985 0.5270 0.8346 0.029*
C10 0.2675 (3) 0.4871 (3) 0.5424 (3) 0.0159 (6)
C11 0.3632 (3) 0.4487 (3) 0.5474 (3) 0.0203 (7)
H11A 0.4171 0.4825 0.6223 0.024*
C12 0.3813 (3) 0.3601 (3) 0.4429 (3) 0.0245 (7)
H12A 0.4475 0.3346 0.4470 0.029*
C13 0.3025 (3) 0.3101 (3) 0.3339 (3) 0.0229 (7)
H13A 0.3145 0.2498 0.2631 0.027*
C14 0.2067 (3) 0.3477 (3) 0.3280 (3) 0.0215 (7)
H14A 0.1527 0.3128 0.2530 0.026*
C15 0.1887 (3) 0.4362 (3) 0.4311 (3) 0.0190 (7)
H15A 0.1228 0.4624 0.4262 0.023*
C16 0.1298 (3) 0.5531 (3) 0.7022 (3) 0.0168 (6)
C17 0.0658 (3) 0.4376 (3) 0.6282 (3) 0.0187 (7)
H17A 0.0823 0.3836 0.5574 0.022*
C18 −0.0229 (3) 0.4005 (3) 0.6578 (3) 0.0236 (7)
H18A −0.0670 0.3215 0.6065 0.028*
C19 −0.0467 (3) 0.4788 (3) 0.7617 (3) 0.0243 (7)
H19A −0.1067 0.4534 0.7820 0.029*
C20 0.0174 (3) 0.5941 (3) 0.8355 (3) 0.0248 (7)
H20A 0.0017 0.6474 0.9072 0.030*
C21 0.1042 (3) 0.6322 (3) 0.8060 (3) 0.0204 (7)
H21A 0.1464 0.7121 0.8561 0.025*
C22 0.2798 (3) 0.9894 (3) 0.5672 (3) 0.0169 (6)
C23 0.1719 (3) 0.9678 (3) 0.5049 (3) 0.0218 (7)
H23A 0.1233 0.8929 0.4726 0.026*
C24 0.1338 (3) 1.0550 (3) 0.4894 (3) 0.0269 (8)
H24A 0.0604 1.0382 0.4438 0.032*
C25 0.2025 (3) 1.1658 (3) 0.5399 (3) 0.0262 (8)
H25A 0.1764 1.2252 0.5293 0.031*
C26 0.3099 (3) 1.1904 (3) 0.6063 (3) 0.0242 (7)
H26A 0.3567 1.2672 0.6431 0.029*
C27 0.3491 (3) 1.1018 (3) 0.6189 (3) 0.0207 (7)
H27A 0.4230 1.1181 0.6628 0.025*
C28 0.4678 (3) 0.9384 (3) 0.6736 (3) 0.0157 (6)
C29 0.4856 (3) 1.0177 (3) 0.7967 (3) 0.0187 (7)
H29A 0.4249 1.0341 0.8276 0.022*
C30 0.5910 (3) 1.0720 (3) 0.8732 (3) 0.0214 (7)
H30A 0.6027 1.1262 0.9563 0.026*
C31 0.6797 (3) 1.0473 (3) 0.8284 (3) 0.0208 (7)
H31A 0.7520 1.0844 0.8812 0.025*
C32 0.6637 (3) 0.9691 (3) 0.7077 (3) 0.0206 (7)
H32A 0.7247 0.9524 0.6776 0.025*
C33 0.5574 (3) 0.9145 (3) 0.6298 (3) 0.0177 (6)
H33A 0.5464 0.8610 0.5467 0.021*
C34 0.3386 (3) 0.7666 (3) 0.4312 (3) 0.0154 (6)
C35 0.3435 (3) 0.7995 (3) 0.3476 (3) 0.0205 (7)
H35A 0.3372 0.8769 0.3657 0.025*
C36 0.3575 (3) 0.7189 (3) 0.2381 (3) 0.0247 (7)
H36A 0.3597 0.7410 0.1810 0.030*
C37 0.3683 (3) 0.6067 (3) 0.2119 (3) 0.0220 (7)
H37A 0.3790 0.5524 0.1374 0.026*
C38 0.3635 (3) 0.5729 (3) 0.2941 (3) 0.0220 (7)
H38A 0.3715 0.4960 0.2763 0.026*
C39 0.3470 (3) 0.6526 (3) 0.4026 (3) 0.0184 (7)
H39A 0.3413 0.6288 0.4578 0.022*
Cl1 0.15739 (10) 0.41053 (9) 0.95175 (11) 0.0451 (3)
Cl2 0.14677 (11) 0.15846 (10) 0.81701 (11) 0.0455 (3)
Cl3 −0.05265 (9) 0.24127 (10) 0.82114 (9) 0.0383 (2)
C40 0.0848 (3) 0.2721 (4) 0.8232 (4) 0.0305 (8)
H40A 0.0863 0.2762 0.7511 0.037*