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. 2021 Oct 26;77(Pt 11):1144–1152. doi: 10.1107/S2056989021010896
x y z Uiso*/Ueq
Cl1 0.35497 (2) 0.25440 (3) 0.21927 (2) 0.03174 (9)
O1 0.58343 (5) 0.52232 (13) 0.37347 (3) 0.0379 (2)
O2 0.51224 (5) 0.73265 (12) 0.40930 (3) 0.03410 (19)
O3 0.50836 (5) 1.00336 (12) 0.32498 (4) 0.0393 (2)
O4 0.38124 (6) 1.04110 (12) 0.33823 (3) 0.03630 (19)
N1 0.43689 (6) 0.95186 (12) 0.32389 (3) 0.02602 (17)
N2 0.70950 (5) 0.49554 (12) 0.44591 (3) 0.02496 (17)
C1 0.45930 (6) 0.62497 (13) 0.32235 (4) 0.02159 (18)
C2 0.41499 (6) 0.77444 (13) 0.30138 (4) 0.02245 (18)
C3 0.35187 (7) 0.76754 (14) 0.25743 (4) 0.0276 (2)
H3 0.322449 0.872401 0.244702 0.033*
C4 0.33229 (6) 0.60562 (15) 0.23234 (4) 0.0279 (2)
H4 0.289265 0.597431 0.202146 0.033*
C5 0.37668 (6) 0.45573 (13) 0.25212 (4) 0.02356 (18)
C6 0.43909 (6) 0.46287 (13) 0.29667 (4) 0.02320 (18)
H6 0.467928 0.357532 0.309587 0.028*
C7 0.52359 (6) 0.63089 (13) 0.37316 (4) 0.02337 (18)
C8 0.77132 (6) 0.42632 (14) 0.42468 (4) 0.0276 (2)
H8 0.763497 0.406693 0.387111 0.033*
C9 0.84757 (6) 0.38107 (14) 0.45538 (4) 0.0267 (2)
H9 0.890820 0.332639 0.438694 0.032*
C10 0.86007 (6) 0.40684 (13) 0.51013 (4) 0.02478 (19)
C11 0.79365 (6) 0.48165 (13) 0.53362 (4) 0.02323 (18)
C12 0.79902 (7) 0.51180 (16) 0.58948 (4) 0.0313 (2)
H12 0.849207 0.485426 0.613072 0.038*
C13 0.73200 (8) 0.57880 (18) 0.60938 (5) 0.0362 (2)
H13 0.735942 0.596465 0.646879 0.043*
C14 0.65709 (7) 0.62213 (17) 0.57515 (5) 0.0335 (2)
H14 0.611455 0.669217 0.589773 0.040*
C15 0.64983 (6) 0.59662 (15) 0.52088 (4) 0.0283 (2)
H15 0.599673 0.626737 0.497774 0.034*
C16 0.71795 (6) 0.52500 (13) 0.49994 (4) 0.02273 (18)
C17 0.94142 (7) 0.35605 (17) 0.54355 (5) 0.0340 (2)
H17A 0.967677 0.462034 0.561585 0.051*
H17B 0.978265 0.304870 0.520528 0.051*
H17C 0.931537 0.268016 0.570401 0.051*
H2 0.6559 (13) 0.524 (3) 0.4196 (9) 0.074 (6)*