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. 2020 Apr 2;76(Pt 5):599–604. doi: 10.1107/S2056989020004193
x y z Uiso*/Ueq
Ni1 0.500000 0.500000 0.500000 0.02724 (12)
Cl1 0.14959 (7) −0.20644 (6) 0.64253 (6) 0.0683 (2)
N1 0.49579 (14) 0.68437 (13) 0.49747 (12) 0.0302 (4)
N2 0.14853 (18) 0.02547 (18) 0.65643 (15) 0.0489 (5)
O1 0.63069 (14) 0.50565 (11) 0.63625 (12) 0.0365 (3)
H11 0.6796 (16) 0.5604 (14) 0.6359 (19) 0.044*
H12 0.6766 (17) 0.4477 (13) 0.6434 (18) 0.044*
O2 0.35666 (14) 0.50182 (12) 0.60512 (12) 0.0381 (3)
H21 0.363 (2) 0.5067 (18) 0.6729 (8) 0.046*
H22 0.2918 (13) 0.4706 (19) 0.5828 (17) 0.046*
O3 0.21575 (15) 0.29848 (13) 0.36561 (13) 0.0513 (4)
O4 0.15477 (15) 0.36711 (14) 0.52437 (14) 0.0577 (5)
O5 0.77684 (18) 0.31004 (15) 0.67043 (15) 0.0578 (5)
H51 0.765 (2) 0.280 (2) 0.7309 (13) 0.069*
H52 0.8451 (14) 0.341 (2) 0.670 (2) 0.069*
O6 −0.02489 (19) 0.4641 (2) 0.64545 (15) 0.0691 (5)
H61 0.027 (2) 0.434 (2) 0.608 (2) 0.083*
H62 −0.063 (2) 0.511 (2) 0.604 (2) 0.083*
C1 0.5043 (2) 0.74728 (16) 0.40446 (16) 0.0366 (5)
H1 0.509493 0.706173 0.337893 0.044*
C2 0.5057 (2) 0.86964 (16) 0.40158 (16) 0.0368 (5)
H2 0.511821 0.909144 0.334314 0.044*
C3 0.49798 (17) 0.93401 (15) 0.49898 (15) 0.0280 (4)
C4 0.48697 (19) 0.86865 (16) 0.59518 (16) 0.0361 (5)
H4 0.480202 0.907506 0.662667 0.043*
C5 0.48605 (19) 0.74622 (15) 0.59102 (16) 0.0359 (5)
H5 0.478228 0.704445 0.656807 0.043*
C6 0.1538 (2) 0.1347 (2) 0.61298 (18) 0.0456 (5)
H6 0.147862 0.199385 0.660541 0.055*
C7 0.16748 (18) 0.15756 (17) 0.50216 (16) 0.0356 (5)
C8 0.1733 (2) 0.06049 (18) 0.43203 (17) 0.0414 (5)
H8 0.180909 0.072105 0.356359 0.050*
C9 0.1679 (2) −0.05304 (19) 0.47386 (18) 0.0439 (5)
H9 0.172347 −0.119476 0.428227 0.053*
C10 0.1557 (2) −0.06397 (19) 0.58621 (18) 0.0429 (5)
C11 0.17917 (18) 0.28366 (18) 0.46017 (19) 0.0419 (5)