x | y | z | Uiso*/Ueq | ||
Ni1 | 0.17351 (5) | 0.21297 (4) | 0.32522 (3) | 0.05459 (18) | |
S1 | −0.01043 (8) | 0.19088 (7) | 0.45807 (6) | 0.0601 (2) | |
S2 | 0.04693 (8) | 0.45024 (7) | 0.31675 (6) | 0.0634 (2) | |
S3 | 0.34944 (8) | 0.23715 (8) | 0.18766 (6) | 0.0646 (2) | |
S4 | 0.30030 (9) | −0.02462 (7) | 0.33157 (6) | 0.0681 (2) | |
N1 | −0.3268 (3) | 0.7577 (3) | 0.4479 (2) | 0.0791 (7) | |
N2 | −0.4145 (3) | 0.4193 (3) | 0.6218 (2) | 0.0862 (8) | |
N3 | 0.6747 (3) | −0.3235 (3) | 0.1797 (2) | 0.0886 (8) | |
N4 | 0.7294 (3) | 0.0134 (3) | 0.0023 (2) | 0.0882 (8) | |
N5 | 0.1415 (3) | 0.7746 (2) | 0.81191 (17) | 0.0575 (5) | |
C1 | −0.2966 (3) | 0.3967 (3) | 0.5591 (2) | 0.0611 (7) | |
C2 | −0.1507 (3) | 0.3709 (3) | 0.4772 (2) | 0.0531 (6) | |
C3 | −0.2387 (3) | 0.6364 (3) | 0.4331 (2) | 0.0599 (7) | |
C4 | −0.1257 (3) | 0.4844 (3) | 0.4169 (2) | 0.0550 (6) | |
C5 | 0.6208 (3) | 0.0325 (3) | 0.0733 (2) | 0.0652 (7) | |
C6 | 0.4856 (3) | 0.0568 (3) | 0.1630 (2) | 0.0565 (6) | |
C7 | 0.4645 (3) | −0.0567 (3) | 0.2251 (2) | 0.0569 (6) | |
C8 | 0.5794 (3) | −0.2072 (3) | 0.2023 (2) | 0.0659 (7) | |
C9 | 0.2814 (3) | 0.6993 (3) | 0.7434 (2) | 0.0650 (7) | |
H9 | 0.3298 | 0.5961 | 0.7497 | 0.078* | |
C10 | 0.3530 (4) | 0.7722 (3) | 0.6651 (2) | 0.0731 (8) | |
H10 | 0.4497 | 0.7186 | 0.6182 | 0.088* | |
C11 | 0.2837 (4) | 0.9231 (4) | 0.6549 (2) | 0.0777 (9) | |
H11 | 0.3331 | 0.9734 | 0.6020 | 0.093* | |
C12 | 0.1386 (4) | 1.0006 (3) | 0.7248 (3) | 0.0782 (9) | |
H12 | 0.0884 | 1.1037 | 0.7190 | 0.094* | |
C13 | 0.0705 (4) | 0.9233 (3) | 0.8022 (2) | 0.0686 (8) | |
H13 | −0.0272 | 0.9748 | 0.8491 | 0.082* | |
C14 | 0.0666 (4) | 0.6954 (3) | 0.8999 (2) | 0.0675 (7) | |
H14A | 0.1108 | 0.5915 | 0.8837 | 0.081* | |
H14B | −0.0502 | 0.7374 | 0.9038 | 0.081* | |
C15 | 0.0995 (4) | 0.7078 (4) | 1.0100 (2) | 0.0785 (9) | |
H15A | 0.0642 | 0.8119 | 1.0222 | 0.094* | |
H15B | 0.0340 | 0.6697 | 1.0668 | 0.094* | |
C16 | 0.2730 (4) | 0.6270 (4) | 1.0199 (3) | 0.0827 (9) | |
H16A | 0.3399 | 0.6628 | 0.9625 | 0.099* | |
H16B | 0.3082 | 0.5220 | 1.0108 | 0.099* | |
C17 | 0.2978 (4) | 0.6479 (4) | 1.1299 (3) | 0.0867 (10) | |
H17A | 0.2674 | 0.7513 | 1.1377 | 0.130* | |
H17B | 0.4104 | 0.5924 | 1.1341 | 0.130* | |
H17C | 0.2311 | 0.6131 | 1.1868 | 0.130* |