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* |