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. 2011 Oct 22;67(Pt 11):m1567. doi: 10.1107/S1600536811042103
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*