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. 2021 Oct 26;77(Pt 11):1144–1152. doi: 10.1107/S2056989021010896
x y z Uiso*/Ueq
Cl1 0.68899 (5) −0.41758 (5) 1.09613 (2) 0.04437 (12)
O1 0.55730 (12) 0.11536 (12) 0.67899 (7) 0.0343 (2)
O2 0.27487 (13) 0.08937 (13) 0.70351 (7) 0.0361 (2)
O3 0.04742 (14) 0.09528 (15) 0.90266 (8) 0.0491 (3)
O4 0.12351 (16) −0.15067 (16) 0.83652 (9) 0.0518 (3)
N1 0.16299 (14) −0.04644 (15) 0.87379 (8) 0.0336 (2)
N2 0.42785 (14) 0.30577 (13) 0.52175 (7) 0.0270 (2)
H2 0.483 (3) 0.226 (3) 0.5866 (16) 0.075 (6)*
C1 0.49025 (15) −0.04440 (14) 0.82541 (8) 0.0237 (2)
C2 0.36650 (16) −0.10303 (15) 0.89062 (8) 0.0255 (2)
C3 0.42201 (17) −0.21590 (16) 0.97438 (9) 0.0291 (2)
H3 0.334084 −0.253809 1.017135 0.035*
C4 0.61139 (17) −0.27175 (16) 0.99359 (9) 0.0289 (2)
C5 0.73961 (17) −0.21407 (16) 0.93296 (9) 0.0294 (2)
H5 0.868057 −0.251966 0.948261 0.035*
C6 0.67764 (16) −0.10049 (15) 0.84981 (9) 0.0271 (2)
H6 0.764664 −0.059768 0.808401 0.033*
C7 0.43193 (16) 0.06384 (15) 0.72882 (8) 0.0261 (2)
C8 0.50883 (17) 0.25320 (16) 0.43209 (9) 0.0304 (2)
H8 0.615416 0.141673 0.426068 0.036*
C9 0.44242 (18) 0.35661 (17) 0.34601 (9) 0.0314 (3)
H9 0.504996 0.315398 0.282367 0.038*
C10 0.28780 (17) 0.51732 (16) 0.35173 (9) 0.0291 (2)
C11 0.19978 (16) 0.57586 (15) 0.44844 (9) 0.0264 (2)
C12 0.04213 (18) 0.74036 (17) 0.46435 (11) 0.0350 (3)
H12 −0.011398 0.817344 0.408744 0.042*
C13 −0.03350 (19) 0.78908 (18) 0.55913 (12) 0.0400 (3)
H13 −0.138711 0.900418 0.568996 0.048*
C14 0.0424 (2) 0.67651 (19) 0.64235 (10) 0.0393 (3)
H14 −0.012424 0.712464 0.707852 0.047*
C15 0.19339 (18) 0.51667 (17) 0.63033 (9) 0.0327 (3)
H15 0.243434 0.440717 0.686908 0.039*
C16 0.27446 (16) 0.46528 (15) 0.53306 (8) 0.0253 (2)
C17 0.2148 (2) 0.6286 (2) 0.25939 (10) 0.0405 (3)
H17A 0.075011 0.665044 0.263552 0.061*
H17B 0.278616 0.560052 0.200744 0.061*
H17C 0.243044 0.733558 0.253298 0.061*