x | y | z | Uiso*/Ueq | ||
Ni1 | 0.34978 (3) | 0.11803 (2) | 0.295182 (19) | 0.03252 (11) | |
Cl1 | 0.43421 (6) | 0.11649 (4) | 0.47059 (4) | 0.03838 (15) | |
Cl2 | 0.61388 (7) | 0.19661 (5) | 0.25662 (5) | 0.04710 (16) | |
O1 | 0.3728 (2) | −0.11019 (13) | 0.29824 (12) | 0.0508 (4) | |
H1 | 0.4028 | −0.0694 | 0.3602 | 0.076* | |
O2 | 0.45576 (19) | 0.36884 (13) | 0.31744 (15) | 0.0519 (4) | |
H2 | 0.5345 | 0.3509 | 0.3069 | 0.078* | |
O3 | 0.8381 (3) | 0.7143 (2) | 0.2311 (2) | 0.0984 (8) | |
N1 | 0.3351 (2) | −0.04856 (15) | 0.23669 (13) | 0.0373 (4) | |
N2 | 0.2672 (2) | 0.07731 (16) | 0.13055 (14) | 0.0380 (4) | |
N3 | 0.3367 (2) | 0.27794 (14) | 0.33148 (14) | 0.0367 (4) | |
N4 | 0.1224 (2) | 0.09447 (14) | 0.33492 (13) | 0.0327 (4) | |
C1 | 0.2320 (3) | 0.1443 (2) | 0.07928 (19) | 0.0488 (6) | |
H1A | 0.2365 | 0.2169 | 0.1190 | 0.059* | |
C2 | 0.1888 (3) | 0.1112 (2) | −0.0308 (2) | 0.0579 (7) | |
H2A | 0.1652 | 0.1604 | −0.0643 | 0.070* | |
C3 | 0.1820 (3) | 0.0046 (3) | −0.0884 (2) | 0.0629 (8) | |
H3 | 0.1555 | −0.0193 | −0.1624 | 0.076* | |
C4 | 0.2143 (3) | −0.0681 (2) | −0.03703 (18) | 0.0527 (6) | |
H4 | 0.2073 | −0.1416 | −0.0756 | 0.063* | |
C5 | 0.2575 (3) | −0.02919 (19) | 0.07348 (17) | 0.0395 (5) | |
C6 | 0.2956 (2) | −0.10087 (18) | 0.13567 (16) | 0.0368 (5) | |
C7 | 0.2878 (3) | −0.21931 (19) | 0.08362 (17) | 0.0416 (5) | |
C8 | 0.1900 (3) | −0.3086 (2) | 0.1158 (2) | 0.0586 (7) | |
H8 | 0.1293 | −0.2939 | 0.1701 | 0.070* | |
C9 | 0.1835 (4) | −0.4189 (2) | 0.0668 (2) | 0.0736 (9) | |
H9 | 0.1187 | −0.4784 | 0.0887 | 0.088* | |
C10 | 0.2724 (4) | −0.4419 (2) | −0.0146 (2) | 0.0737 (9) | |
H10 | 0.2667 | −0.5166 | −0.0476 | 0.088* | |
C11 | 0.3686 (4) | −0.3545 (2) | −0.0462 (2) | 0.0672 (8) | |
H11 | 0.4291 | −0.3699 | −0.1006 | 0.081* | |
C12 | 0.3768 (3) | −0.2433 (2) | 0.00211 (18) | 0.0501 (6) | |
H12 | 0.4424 | −0.1843 | −0.0202 | 0.060* | |
C13 | 0.0213 (3) | 0.00010 (18) | 0.34823 (17) | 0.0396 (5) | |
H13 | 0.0474 | −0.0661 | 0.3316 | 0.047* | |
C14 | −0.1203 (3) | −0.0034 (2) | 0.38561 (19) | 0.0464 (6) | |
H14 | −0.1876 | −0.0707 | 0.3942 | 0.056* | |
C15 | −0.1606 (3) | 0.0934 (2) | 0.40997 (18) | 0.0463 (6) | |
H15 | −0.2558 | 0.0926 | 0.4349 | 0.056* | |
C16 | −0.0576 (3) | 0.1920 (2) | 0.39698 (17) | 0.0413 (5) | |
H16 | −0.0826 | 0.2587 | 0.4129 | 0.050* | |
C17 | 0.0833 (2) | 0.19055 (17) | 0.36005 (15) | 0.0322 (5) | |
C18 | 0.2045 (2) | 0.29384 (17) | 0.34868 (16) | 0.0348 (5) | |
C19 | 0.1721 (3) | 0.40061 (18) | 0.35581 (17) | 0.0387 (5) | |
C20 | 0.0436 (3) | 0.3987 (2) | 0.2929 (2) | 0.0516 (6) | |
H20 | −0.0242 | 0.3298 | 0.2481 | 0.062* | |
C21 | 0.0160 (4) | 0.4993 (2) | 0.2966 (2) | 0.0644 (8) | |
H21 | −0.0702 | 0.4977 | 0.2541 | 0.077* | |
C22 | 0.1154 (4) | 0.6011 (2) | 0.3627 (2) | 0.0652 (8) | |
H22 | 0.0971 | 0.6684 | 0.3641 | 0.078* | |
C23 | 0.2412 (4) | 0.6044 (2) | 0.4266 (2) | 0.0614 (7) | |
H23 | 0.3073 | 0.6736 | 0.4719 | 0.074* | |
C24 | 0.2703 (3) | 0.50456 (19) | 0.42393 (19) | 0.0496 (6) | |
H24 | 0.3557 | 0.5070 | 0.4678 | 0.060* | |
C25 | 0.5679 (5) | 0.6853 (5) | 0.2243 (3) | 0.145 (2) | |
H25A | 0.5795 | 0.7050 | 0.1586 | 0.217* | |
H25B | 0.5336 | 0.7397 | 0.2742 | 0.217* | |
H25C | 0.4915 | 0.6106 | 0.2105 | 0.217* | |
C26 | 0.7191 (4) | 0.6861 (2) | 0.2698 (2) | 0.0583 (7) | |
C27 | 0.7140 (4) | 0.6509 (3) | 0.3687 (3) | 0.0836 (10) | |
H27A | 0.8184 | 0.6597 | 0.3968 | 0.125* | |
H27B | 0.6489 | 0.5724 | 0.3527 | 0.125* | |
H27C | 0.6714 | 0.6975 | 0.4208 | 0.125* |