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. 2021 Oct 26;77(Pt 11):1144–1152. doi: 10.1107/S2056989021010896
x y z Uiso*/Ueq
Cl1 0.32990 (4) 0.49410 (3) 0.93689 (3) 0.03079 (11)
O1 0.14650 (13) 0.72397 (10) 0.67810 (9) 0.0348 (2)
O2 0.17832 (14) 0.56790 (11) 0.54222 (9) 0.0379 (2)
O3 0.06312 (12) 0.05267 (11) 1.18988 (10) 0.0363 (2)
O4 −0.15473 (12) 0.09130 (11) 1.07952 (11) 0.0371 (2)
N1 −0.02872 (13) 0.12105 (11) 1.09235 (11) 0.0273 (2)
N2 0.22641 (12) 0.95808 (11) 0.50904 (10) 0.0252 (2)
H2 0.193 (2) 0.874 (2) 0.558 (2) 0.058 (6)*
C1 0.10772 (13) 0.47157 (12) 0.77222 (11) 0.0220 (2)
C2 0.17864 (13) 0.42010 (12) 0.90230 (11) 0.0222 (2)
C3 0.13592 (13) 0.30429 (12) 1.00803 (11) 0.0239 (2)
H3 0.187120 0.267833 1.095810 0.029*
C4 0.01662 (13) 0.24410 (12) 0.98114 (12) 0.0239 (2)
C5 −0.05810 (14) 0.29108 (13) 0.85435 (12) 0.0259 (2)
H5 −0.140805 0.247959 0.839335 0.031*
C6 −0.00900 (14) 0.40299 (13) 0.74954 (12) 0.0251 (2)
H6 −0.055755 0.433693 0.660379 0.030*
C7 0.14979 (14) 0.59753 (13) 0.65289 (12) 0.0241 (2)
C8 0.18122 (15) 1.08320 (14) 0.55384 (12) 0.0274 (2)
H8 0.108530 1.083030 0.627431 0.033*
C9 0.23804 (14) 1.21539 (13) 0.49531 (12) 0.0268 (2)
H9 0.203126 1.304456 0.528283 0.032*
C10 0.34486 (14) 1.21633 (13) 0.38964 (11) 0.0240 (2)
C11 0.39172 (13) 1.08266 (13) 0.33915 (11) 0.0239 (2)
C12 0.49945 (15) 1.07123 (15) 0.22966 (13) 0.0300 (2)
H12 0.544342 1.156119 0.185742 0.036*
C13 0.53934 (17) 0.93898 (17) 0.18668 (14) 0.0360 (3)
H13 0.611735 0.933167 0.113483 0.043*
C14 0.47410 (17) 0.81181 (17) 0.24992 (15) 0.0361 (3)
H14 0.501707 0.721573 0.218226 0.043*
C15 0.37123 (16) 0.81710 (14) 0.35670 (13) 0.0300 (2)
H15 0.328586 0.730472 0.399948 0.036*
C16 0.32896 (13) 0.95269 (13) 0.40207 (11) 0.0240 (2)
C17 0.41066 (16) 1.35602 (14) 0.32995 (13) 0.0297 (2)
H17A 0.527472 1.321940 0.331657 0.045*
H17B 0.375456 1.429869 0.384385 0.045*
H17C 0.372032 1.407486 0.234819 0.045*