x | y | z | Uiso*/Ueq | ||
Co1 | 0.500000 | 0.500000 | 0.500000 | 0.01658 (12) | |
O3 | 0.60307 (15) | 0.65750 (13) | 0.62150 (13) | 0.0237 (3) | |
H3A | 0.696404 | 0.660264 | 0.635017 | 0.035* | |
H3B | 0.594575 | 0.646860 | 0.692916 | 0.035* | |
O2 | 0.39661 (15) | 0.64187 (13) | 0.35319 (13) | 0.0240 (3) | |
H2A | 0.368923 | 0.604165 | 0.279836 | 0.036* | |
H2B | 0.458953 | 0.704445 | 0.358200 | 0.036* | |
O4 | 0.55105 (17) | 0.63859 (14) | 0.83392 (14) | 0.0283 (3) | |
O1 | −0.09235 (17) | 0.70328 (16) | 0.68073 (17) | 0.0365 (4) | |
O5 | 0.72605 (18) | 0.48025 (16) | 0.88934 (16) | 0.0356 (4) | |
N1 | 0.31337 (18) | 0.52596 (16) | 0.55744 (16) | 0.0208 (3) | |
C7 | 0.6189 (2) | 0.54056 (19) | 0.90123 (18) | 0.0221 (4) | |
C3 | 0.1007 (2) | 0.5713 (2) | 0.66124 (18) | 0.0216 (4) | |
C8 | 0.5656 (2) | 0.48648 (19) | 0.99864 (19) | 0.0239 (4) | |
H8 | 0.629871 | 0.429951 | 1.061428 | 0.029* | |
N2 | −0.0347 (3) | 0.5112 (2) | 0.7922 (2) | 0.0491 (6) | |
H2C | −0.102155 | 0.523521 | 0.822413 | 0.059* | |
H2D | 0.020826 | 0.440936 | 0.812861 | 0.059* | |
C4 | 0.1453 (2) | 0.6727 (2) | 0.6015 (2) | 0.0268 (4) | |
H4 | 0.103978 | 0.757665 | 0.594549 | 0.032* | |
C2 | 0.1627 (2) | 0.4464 (2) | 0.6655 (2) | 0.0297 (5) | |
H2 | 0.134441 | 0.375248 | 0.703564 | 0.036* | |
C6 | −0.0163 (2) | 0.6003 (2) | 0.7141 (2) | 0.0279 (4) | |
C5 | 0.2516 (2) | 0.64642 (19) | 0.5523 (2) | 0.0263 (4) | |
H5 | 0.281757 | 0.715892 | 0.513627 | 0.032* | |
C1 | 0.2671 (2) | 0.4283 (2) | 0.6126 (2) | 0.0275 (4) | |
H1 | 0.307396 | 0.343382 | 0.615691 | 0.033* |