x | y | z | Uiso*/Ueq | ||
Cu1 | 0.0000 | 0.5000 | 0.5000 | 0.02341 (16) | |
C1 | 0.0677 (5) | 0.4366 (4) | 0.3025 (2) | 0.0326 (7) | |
H1 | 0.1452 | 0.3463 | 0.3194 | 0.039* | |
C2 | −0.1151 (5) | 0.6469 (4) | 0.3090 (2) | 0.0365 (7) | |
H2 | −0.1900 | 0.7304 | 0.3318 | 0.044* | |
C3 | −0.0853 (6) | 0.6229 (4) | 0.2184 (2) | 0.0397 (8) | |
H3 | −0.1337 | 0.6861 | 0.1685 | 0.048* | |
C4 | 0.1083 (6) | 0.4132 (4) | 0.1331 (2) | 0.0439 (8) | |
H4A | −0.0227 | 0.4136 | 0.0833 | 0.053* | |
H4B | 0.1477 | 0.3088 | 0.1482 | 0.053* | |
C5 | 0.3213 (7) | 0.4885 (4) | 0.0999 (3) | 0.0534 (9) | |
H5A | 0.2801 | 0.5899 | 0.0809 | 0.080* | |
H5B | 0.3701 | 0.4333 | 0.0482 | 0.080* | |
H5C | 0.4505 | 0.4906 | 0.1494 | 0.080* | |
C6 | 0.4839 (4) | 0.4123 (3) | 0.49195 (17) | 0.0210 (5) | |
N1 | −0.0177 (4) | 0.5292 (3) | 0.36168 (15) | 0.0282 (6) | |
N2 | 0.0296 (4) | 0.4876 (3) | 0.21516 (16) | 0.0339 (6) | |
O1 | 0.3372 (3) | 0.6619 (2) | 0.52150 (13) | 0.0291 (5) | |
O2 | 0.2754 (3) | 0.3599 (2) | 0.49398 (12) | 0.0259 (4) |