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. 2009 Jan 8;65(Pt 2):m155. doi: 10.1107/S1600536808043961
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*