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. 2020 Oct 9;76(Pt 11):1741–1747. doi: 10.1107/S2056989020013341
x y z Uiso*/Ueq
Ni −0.04446 (6) 0.750000 0.86705 (4) 0.01505 (12)
O −0.2636 (4) 0.750000 0.5582 (3) 0.0313 (6)
N1 0.1861 (4) 0.750000 1.0178 (3) 0.0161 (5)
N2 −0.0255 (3) 0.81813 (7) 0.89233 (19) 0.0169 (4)
C1 0.5450 (5) 0.750000 1.2176 (4) 0.0242 (7)
H1 0.670105 0.750000 1.288274 0.029*
C2 0.4567 (4) 0.79465 (9) 1.1677 (3) 0.0218 (5)
H2 0.519973 0.824808 1.203580 0.026*
C3 0.2721 (3) 0.79438 (8) 1.0632 (2) 0.0170 (4)
C4 0.1516 (3) 0.83425 (8) 0.9875 (2) 0.0183 (5)
C5 0.1610 (3) 0.88577 (8) 0.9845 (2) 0.0185 (5)
C6 −0.0168 (3) 0.90088 (8) 0.8840 (2) 0.0205 (5)
H6 −0.055029 0.933942 0.858799 0.025*
C7 −0.1264 (3) 0.85917 (8) 0.8283 (2) 0.0179 (4)
C8 0.3181 (3) 0.91905 (8) 1.0691 (2) 0.0185 (4)
C9 0.5277 (4) 0.91026 (9) 1.0823 (3) 0.0221 (5)
H9 0.572595 0.882978 1.031925 0.027*
C10 0.6717 (4) 0.94084 (9) 1.1680 (3) 0.0229 (5)
H10 0.813288 0.933585 1.176897 0.028*
C11 0.6134 (4) 0.98169 (9) 1.2407 (3) 0.0221 (5)
C12 0.4036 (4) 0.99210 (9) 1.2217 (3) 0.0233 (5)
H12 0.359528 1.020579 1.267031 0.028*
C13 0.2591 (4) 0.96129 (8) 1.1373 (3) 0.0218 (5)
H13 0.117622 0.969085 1.125842 0.026*
C14 0.7677 (4) 1.01476 (10) 1.3376 (3) 0.0294 (6)
H14A 0.906304 1.002061 1.340151 0.044*
H14B 0.739580 1.015472 1.439028 0.044*
H14C 0.757029 1.048148 1.296201 0.044*
C15 −0.3239 (3) 0.85618 (8) 0.7220 (2) 0.0174 (4)
C16 −0.3557 (4) 0.88339 (8) 0.5890 (3) 0.0210 (5)
H16 −0.250400 0.904361 0.568115 0.025*
C17 −0.5400 (4) 0.87994 (9) 0.4874 (3) 0.0242 (5)
H17 −0.558525 0.898537 0.397741 0.029*
C18 −0.6980 (4) 0.84969 (10) 0.5148 (3) 0.0246 (5)
C19 −0.6676 (4) 0.82337 (9) 0.6479 (3) 0.0243 (5)
H19 −0.773984 0.802848 0.669221 0.029*
C20 −0.4837 (4) 0.82661 (9) 0.7504 (3) 0.0218 (5)
H20 −0.466766 0.808452 0.840810 0.026*
C21 −0.8980 (4) 0.84547 (13) 0.4040 (3) 0.0388 (7)
H21A −0.898746 0.814872 0.347097 0.058*
H21B −0.912385 0.873591 0.335568 0.058*
H21C −1.012360 0.845229 0.457559 0.058*
C22 −0.2023 (5) 0.750000 0.6821 (4) 0.0204 (7)