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. 2021 Oct 29;77(Pt 11):1180–1184. doi: 10.1107/S2056989021011002
x y z Uiso*/Ueq
Cu1 0.57740 (4) 0.64590 (4) 0.46958 (4) 0.01225 (12)
Cl1 0.36070 (8) 0.54060 (8) 0.34752 (7) 0.01340 (18)
S1 0.91865 (9) 0.82046 (8) 0.47781 (8) 0.01693 (19)
N1 0.7401 (3) 0.5908 (2) 0.3922 (2) 0.0098 (5)
C2 0.8718 (3) 0.6558 (3) 0.4035 (3) 0.0113 (6)
C3 0.9837 (3) 0.5968 (3) 0.3594 (3) 0.0142 (7)
H3 1.075431 0.645998 0.368256 0.017*
C4 0.9603 (4) 0.4679 (3) 0.3036 (3) 0.0175 (7)
H4 1.036450 0.425281 0.275400 0.021*
C5 0.8239 (4) 0.4003 (3) 0.2888 (3) 0.0158 (7)
H5 0.803694 0.311139 0.249195 0.019*
C6 0.7184 (3) 0.4656 (3) 0.3331 (3) 0.0145 (7)
H6 0.624182 0.419633 0.321361 0.017*
C7 0.7410 (4) 0.8972 (3) 0.4778 (3) 0.0145 (7)
H7A 0.759319 0.996020 0.504812 0.017*
H7B 0.669754 0.896375 0.389294 0.017*
C8 0.6665 (4) 0.8249 (3) 0.5633 (3) 0.0137 (7)
H8 0.729407 0.776905 0.636305 0.016*
C9 0.5133 (4) 0.8248 (3) 0.5412 (3) 0.0198 (8)
H9A 0.447951 0.872113 0.468765 0.024*
H9B 0.471792 0.777530 0.598143 0.024*