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. 2008 Jun 7;64(Pt 7):m874–m875. doi: 10.1107/S1600536808016309
x y z Uiso*/Ueq
Ni1 0.230880 (7) 0.50781 (2) 0.25665 (2) 0.00841 (4)
O1 0.36657 (5) 0.27840 (12) 0.44207 (8) 0.0123 (2)
O2 0.30848 (5) 0.35043 (12) 0.30169 (8) 0.0110 (2)
O3 0.15872 (5) 0.68763 (13) 0.28120 (8) 0.0131 (2)
O4 0.10593 (5) 0.81657 (13) 0.41025 (9) 0.0133 (2)
O5 0.35128 (5) 0.74395 (13) 0.04995 (8) 0.0128 (2)
O6 0.30178 (5) 0.66991 (13) 0.19960 (8) 0.0113 (2)
O7 0.15889 (5) 0.32530 (12) 0.24551 (9) 0.0120 (2)
O8 0.09570 (5) 0.20477 (13) 0.12645 (9) 0.0146 (2)
N1 0.23302 (5) 0.53498 (17) 0.41041 (11) 0.0085 (2)
N2 0.22246 (6) 0.48264 (15) 0.10356 (12) 0.0090 (3)
C1 0.27701 (7) 0.45504 (17) 0.46722 (12) 0.0087 (2)
C2 0.28041 (8) 0.47344 (19) 0.57519 (13) 0.0109 (3)
H2A 0.3120 0.4178 0.6153 0.013*
C3 0.23594 (7) 0.57630 (18) 0.62343 (12) 0.0112 (3)
H3A 0.2371 0.5909 0.6975 0.013*
C4 0.18997 (7) 0.65754 (17) 0.56366 (11) 0.0102 (3)
H4A 0.1593 0.7270 0.5958 0.012*
C5 0.19040 (7) 0.63384 (17) 0.45558 (11) 0.0088 (2)
C6 0.32098 (6) 0.35197 (16) 0.39952 (12) 0.0096 (2)
C7 0.14761 (7) 0.71970 (17) 0.37710 (11) 0.0102 (3)
C8 0.26305 (6) 0.56135 (18) 0.04015 (12) 0.0095 (3)
C9 0.26076 (7) 0.5380 (2) −0.06858 (12) 0.0105 (3)
H9A 0.2901 0.5919 −0.1140 0.013*
C10 0.21417 (7) 0.43328 (18) −0.10826 (11) 0.0121 (3)
H10A 0.2116 0.4147 −0.1818 0.015*
C11 0.17109 (7) 0.35526 (17) −0.04071 (12) 0.0110 (3)
H11A 0.1385 0.2857 −0.0673 0.013*
C12 0.17748 (6) 0.38260 (17) 0.06599 (12) 0.0097 (2)
C13 0.30969 (6) 0.66803 (17) 0.10021 (12) 0.0101 (3)
C14 0.14033 (7) 0.29812 (17) 0.15243 (12) 0.0108 (3)
N3 0.54006 (6) 0.43977 (15) 0.30200 (10) 0.0123 (2)
H3B 0.5651 0.5201 0.3289 0.018*
H3C 0.5010 0.4809 0.2837 0.018*
H3D 0.5595 0.3971 0.2442 0.018*
N4 0.44676 (5) 0.16524 (15) 0.27970 (10) 0.0118 (2)
H4B 0.4502 0.2393 0.2270 0.018*
H4C 0.4162 0.1982 0.3263 0.018*
H4D 0.4354 0.0676 0.2523 0.018*
C15 0.53120 (7) 0.31041 (17) 0.38271 (12) 0.0130 (3)
H15A 0.4983 0.3459 0.4340 0.016*
H15B 0.5722 0.2949 0.4212 0.016*
C16 0.51052 (7) 0.14977 (17) 0.33504 (12) 0.0113 (2)
H16A 0.5437 0.1154 0.2827 0.014*
C17 0.50526 (8) 0.01962 (18) 0.41937 (13) 0.0174 (3)
H17A 0.4940 −0.0840 0.3866 0.026*
H17B 0.4718 0.0499 0.4700 0.026*
H17C 0.5466 0.0091 0.4558 0.026*
O1W 0.42220 (5) 0.59529 (14) 0.30653 (9) 0.0169 (2)
H1WA 0.4295 0.6786 0.2735 0.020*
H1WB 0.3837 0.5823 0.2945 0.020*
O2W 0.06395 (6) 0.74698 (19) 0.13415 (10) 0.0297 (3)
H2WA 0.0821 0.6693 0.1612 0.036*
H2WB 0.0882 0.7755 0.0867 0.036*
O3W −0.03481 (5) 0.15335 (15) 0.09506 (9) 0.0199 (2)
H3WA 0.0027 0.1743 0.0800 0.024*
H3WB −0.0520 0.1482 0.0372 0.024*
O4W 0.44262 (5) 0.86620 (13) 0.18005 (9) 0.0158 (2)
H4WA 0.4731 0.8280 0.1474 0.019*
H4WB 0.4180 0.8294 0.1357 0.019*