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. 2022 Jun 16;78(Pt 7):732–736. doi: 10.1107/S205698902200620X
x y z Uiso*/Ueq
Br1 0.49964 (2) 0.72932 (3) 0.49158 (6) 0.02765 (8)
Br2 0.44572 (2) 0.50470 (2) 0.51189 (7) 0.02906 (8)
Br3 −0.10955 (3) 0.24165 (3) 0.55241 (7) 0.03182 (9)
O1 0.1810 (2) 1.1045 (2) 0.3729 (4) 0.0333 (6)
O2 0.1662 (3) 1.1002 (2) 0.6323 (4) 0.0326 (6)
N1 0.18506 (19) 1.0613 (2) 0.5020 (5) 0.0231 (5)
N2 0.24431 (19) 0.57755 (19) 0.5188 (4) 0.0207 (5)
N3 0.15599 (19) 0.5982 (2) 0.5376 (4) 0.0228 (6)
C1 0.4020 (2) 0.6350 (2) 0.5012 (6) 0.0222 (6)
C2 0.3073 (2) 0.6586 (2) 0.5080 (5) 0.0205 (5)
C3 0.2727 (2) 0.7629 (2) 0.5040 (5) 0.0196 (5)
C4 0.2373 (3) 0.8055 (3) 0.6449 (5) 0.0221 (6)
H4 0.233234 0.767615 0.741062 0.027*
C5 0.2076 (3) 0.9043 (3) 0.6441 (5) 0.0222 (6)
H5 0.184039 0.934772 0.739348 0.027*
C6 0.2136 (2) 0.9563 (2) 0.5016 (5) 0.0212 (5)
C7 0.2468 (3) 0.9148 (3) 0.3596 (5) 0.0249 (7)
H7 0.248972 0.952162 0.262834 0.030*
C8 0.2769 (3) 0.8171 (3) 0.3629 (5) 0.0235 (6)
H8 0.300598 0.787169 0.267351 0.028*
C9 0.0971 (2) 0.5110 (2) 0.5422 (5) 0.0208 (6)
C10 0.0066 (3) 0.5207 (3) 0.6113 (5) 0.0251 (7)
H10 −0.013356 0.582330 0.654399 0.030*
C11 −0.0553 (3) 0.4391 (3) 0.6172 (5) 0.0262 (7)
H11 −0.117165 0.444374 0.665505 0.031*
C12 −0.0249 (3) 0.3509 (2) 0.5516 (5) 0.0243 (6)
C13 0.0662 (2) 0.3397 (2) 0.4837 (5) 0.0246 (7)
H13 0.085933 0.277960 0.440465 0.030*
C14 0.1275 (2) 0.4203 (2) 0.4803 (5) 0.0236 (6)
H14 0.190380 0.413915 0.435972 0.028*