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. 2022 Feb 3;78(Pt 3):275–281. doi: 10.1107/S2056989022000962
x y z Uiso*/Ueq
C2 0.1651 (3) 0.3373 (2) 0.41693 (14) 0.0405 (5)
C3 0.2308 (2) 0.4295 (2) 0.47529 (13) 0.0361 (4)
C4 0.1731 (2) 0.56405 (19) 0.45645 (12) 0.0315 (4)
C5 0.2140 (3) 0.6832 (2) 0.50152 (14) 0.0399 (4)
C6 0.1421 (3) 0.8012 (2) 0.47034 (16) 0.0460 (5)
C7 0.0310 (3) 0.8041 (2) 0.39437 (16) 0.0468 (5)
C8 −0.0120 (3) 0.6888 (2) 0.34898 (14) 0.0426 (5)
C9 0.0599 (2) 0.56820 (19) 0.38079 (12) 0.0325 (4)
C11 0.3783 (3) 0.1481 (2) 0.36842 (14) 0.0392 (4)
C12 0.4614 (3) 0.0261 (2) 0.38205 (16) 0.0487 (5)
C13 0.6017 (3) 0.0046 (3) 0.34629 (17) 0.0562 (6)
C14 0.6591 (3) 0.1024 (3) 0.29691 (18) 0.0578 (6)
C15 0.5762 (3) 0.2225 (3) 0.28289 (16) 0.0512 (6)
C16 0.4356 (3) 0.2460 (2) 0.31852 (14) 0.0435 (5)
Br1 0.38366 (3) 0.38960 (3) 0.57285 (2) 0.05735 (10)
S1 0.02548 (7) 0.41026 (6) 0.33534 (4) 0.04409 (13)
S10 0.19752 (8) 0.16429 (6) 0.41634 (5) 0.05842 (19)
H5 0.289 (3) 0.680 (2) 0.5496 (15) 0.042 (6)*
H6 0.172 (3) 0.880 (3) 0.4980 (17) 0.053 (7)*
H7 −0.009 (4) 0.887 (3) 0.3766 (18) 0.060 (8)*
H8 −0.089 (3) 0.691 (3) 0.2997 (17) 0.055 (7)*
H12 0.429 (3) −0.039 (3) 0.4186 (17) 0.056 (7)*
H13 0.660 (4) −0.081 (3) 0.3556 (18) 0.065 (8)*
H14 0.751 (4) 0.092 (3) 0.278 (2) 0.073 (9)*
H15 0.613 (3) 0.286 (3) 0.2530 (18) 0.058 (8)*
H16 0.379 (3) 0.325 (3) 0.3084 (17) 0.058 (8)*