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. 2021 Feb 26;77(Pt 3):314–318. doi: 10.1107/S2056989021001778
x y z Uiso*/Ueq
Cl1 0.29234 (3) 0.32109 (4) 0.48615 (3) 0.02725 (10)
O1 0.18273 (7) 0.38773 (11) 0.64208 (7) 0.0241 (2)
O2 0.10261 (6) 0.65866 (12) 0.67309 (7) 0.0239 (2)
O3 0.10408 (7) 0.88836 (11) 0.54071 (9) 0.0302 (2)
O4 0.25869 (8) 0.47397 (12) 0.27145 (8) 0.0320 (3)
O5 0.38442 (7) 0.56929 (12) −0.02661 (7) 0.0249 (2)
N1 0.33695 (8) 0.69571 (13) 0.31234 (8) 0.0191 (2)
H1A 0.3526 (12) 0.762 (2) 0.3588 (13) 0.026 (4)*
C1 0.23398 (9) 0.60558 (15) 0.42223 (10) 0.0193 (2)
C2 0.23353 (9) 0.48844 (14) 0.49310 (10) 0.0189 (2)
C3 0.18745 (9) 0.50552 (14) 0.57581 (10) 0.0186 (2)
C4 0.14420 (9) 0.64091 (15) 0.58915 (10) 0.0194 (2)
C5 0.14667 (9) 0.76025 (15) 0.51996 (10) 0.0204 (2)
C6 0.19046 (9) 0.74103 (15) 0.43585 (10) 0.0207 (3)
H6A 0.190600 0.820783 0.387583 0.025*
C7 0.25364 (12) 0.39211 (18) 0.73685 (12) 0.0323 (3)
H7A 0.247923 0.303626 0.779583 0.048*
H7B 0.246122 0.483071 0.776384 0.048*
H7C 0.315408 0.392639 0.719441 0.048*
C8 0.00347 (10) 0.62546 (17) 0.64724 (12) 0.0260 (3)
H8A −0.006469 0.516730 0.633878 0.031*
H8B −0.027186 0.680643 0.583095 0.031*
C9 −0.03754 (11) 0.6722 (2) 0.73783 (14) 0.0410 (4)
H9A −0.104576 0.649464 0.722087 0.061*
H9B −0.028357 0.780238 0.749697 0.061*
H9C −0.006531 0.617541 0.801030 0.061*
C10 0.12623 (12) 1.02402 (17) 0.49314 (14) 0.0327 (3)
H10A 0.109255 1.110196 0.531760 0.049*
H10B 0.091199 1.028074 0.420061 0.049*
H10C 0.193419 1.026858 0.494974 0.049*
C11 0.27614 (9) 0.58307 (16) 0.32791 (10) 0.0213 (3)
C12 0.38339 (9) 0.70472 (14) 0.22986 (10) 0.0180 (2)
C13 0.36265 (9) 0.61821 (15) 0.14259 (10) 0.0204 (3)
H13A 0.315554 0.543565 0.137043 0.024*
C14 0.41092 (9) 0.63713 (15) 0.05714 (10) 0.0201 (2)
C15 0.49279 (10) 0.74267 (18) 0.07335 (11) 0.0262 (3)
H15A 0.499687 0.781566 0.004357 0.031*
H15B 0.550511 0.686924 0.104906 0.031*
C16 0.48180 (11) 0.87402 (17) 0.14418 (11) 0.0275 (3)
H16A 0.430304 0.939526 0.107746 0.033*
H16B 0.540060 0.934001 0.158934 0.033*
C17 0.46077 (10) 0.81930 (16) 0.24729 (11) 0.0234 (3)
H17A 0.518006 0.774546 0.291063 0.028*
H17B 0.442654 0.905888 0.286032 0.028*