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. 2021 Oct 29;77(Pt 11):1180–1184. doi: 10.1107/S2056989021011002
x y z Uiso*/Ueq
Br1 0.36045 (4) 0.54960 (3) 0.34080 (3) 0.01538 (12)
Cu1 0.58645 (5) 0.64663 (4) 0.47542 (4) 0.01478 (13)
S1 0.91726 (10) 0.82315 (9) 0.48313 (10) 0.0201 (2)
N1 0.7467 (3) 0.5936 (3) 0.3976 (3) 0.0135 (6)
C2 0.8735 (4) 0.6601 (3) 0.4079 (3) 0.0127 (7)
C3 0.9838 (4) 0.6033 (4) 0.3631 (3) 0.0176 (8)
H3 1.072777 0.652922 0.372109 0.021*
C4 0.9622 (4) 0.4747 (4) 0.3060 (4) 0.0191 (8)
H4 1.036808 0.433779 0.276414 0.023*
C5 0.8301 (4) 0.4056 (4) 0.2920 (3) 0.0186 (8)
H5 0.811443 0.317584 0.251361 0.022*
C6 0.7270 (4) 0.4681 (4) 0.3387 (4) 0.0168 (8)
H6 0.636629 0.420650 0.329185 0.020*
C7 0.7453 (4) 0.8986 (4) 0.4850 (4) 0.0171 (8)
H7A 0.762903 0.996856 0.512413 0.021*
H7B 0.677805 0.898701 0.397736 0.021*
C8 0.6700 (4) 0.8262 (4) 0.5692 (4) 0.0192 (8)
H8 0.729668 0.778274 0.641149 0.023*
C9 0.5222 (5) 0.8253 (4) 0.5484 (4) 0.0247 (9)
H9A 0.459626 0.872317 0.477213 0.030*
H9B 0.481069 0.777660 0.605052 0.030*