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. 2017 Sep 8;73(Pt 10):1421–1425. doi: 10.1107/S2056989017012543
x y z Uiso*/Ueq
Cu1 0.57200 (3) 0.53341 (6) 0.55087 (4) 0.0195 (2)
Cl1 0.69386 (7) 0.59126 (13) 0.66374 (7) 0.0253 (3)
O1 0.5727 (3) 0.3572 (4) 0.5833 (3) 0.0384 (10)
O2 0.4505 (3) 0.3014 (4) 0.5009 (3) 0.0369 (10)
O3 0.6477 (2) 0.4905 (4) 0.4471 (2) 0.0297 (9)
O4 0.5250 (2) 0.4381 (5) 0.3640 (3) 0.0445 (12)
N1 0.6876 (3) −0.1791 (5) 0.8123 (3) 0.0339 (11)
H1A 0.715646 −0.207468 0.762784 0.051*
H1B 0.688742 −0.239545 0.855069 0.051*
H1C 0.717108 −0.110116 0.833690 0.051*
N2 0.6727 (3) 0.1961 (6) −0.0237 (3) 0.0451 (14)
H2A 0.674668 0.130093 0.014673 0.068*
H2B 0.702133 0.175997 −0.074399 0.068*
H2C 0.613684 0.215079 −0.038025 0.068*
C1 0.5154 (3) 0.2771 (5) 0.5551 (3) 0.0244 (11)
C2 0.5225 (4) 0.1471 (5) 0.5916 (4) 0.0299 (12)
H2 0.490146 0.089283 0.548741 0.036*
C3 0.6224 (4) 0.1033 (6) 0.6034 (4) 0.0377 (14)
H3A 0.650187 0.098871 0.543974 0.045*
H3B 0.657016 0.165255 0.640008 0.045*
C4 0.6295 (4) −0.0230 (6) 0.6482 (4) 0.0388 (14)
H4A 0.694444 −0.045681 0.657197 0.047*
H4B 0.600371 −0.086743 0.608849 0.047*
C5 0.5841 (3) −0.0227 (5) 0.7379 (4) 0.0288 (12)
H5 0.614942 0.042295 0.776158 0.035*
C6 0.4837 (4) 0.0149 (6) 0.7258 (6) 0.0472 (18)
H6A 0.451049 −0.048267 0.688621 0.057*
H6B 0.455311 0.017746 0.784995 0.057*
C7 0.4754 (3) 0.1418 (6) 0.6811 (4) 0.0372 (14)
H7A 0.502404 0.205796 0.721666 0.045*
H7B 0.410239 0.162109 0.671203 0.045*
C8 0.5915 (4) −0.1465 (6) 0.7881 (4) 0.0397 (14)
H8A 0.556328 −0.141231 0.843406 0.048*
H8B 0.564509 −0.213527 0.750187 0.048*
C9 0.6099 (3) 0.4514 (5) 0.3760 (3) 0.0244 (11)
C10 0.6679 (3) 0.4182 (5) 0.2966 (3) 0.0244 (11)
H10 0.733515 0.427604 0.315003 0.029*
C11 0.6461 (4) 0.5081 (6) 0.2187 (4) 0.0288 (12)
H11A 0.579838 0.507245 0.204844 0.035*
H11B 0.663545 0.593965 0.236560 0.035*
C12 0.6970 (4) 0.4710 (6) 0.1351 (3) 0.0299 (12)
H12A 0.681611 0.530032 0.085930 0.036*
H12B 0.763338 0.475985 0.147985 0.036*
C13 0.6722 (3) 0.3405 (5) 0.1063 (3) 0.0262 (12)
H13 0.604822 0.337427 0.095228 0.031*
C14 0.6965 (4) 0.2495 (6) 0.1830 (4) 0.0332 (13)
H14A 0.677871 0.164112 0.164965 0.040*
H14B 0.763281 0.249287 0.193720 0.040*
C15 0.6507 (4) 0.2838 (6) 0.2693 (4) 0.0319 (12)
H15A 0.584401 0.270120 0.261501 0.038*
H15B 0.673527 0.227990 0.317868 0.038*
C16 0.7174 (4) 0.3051 (6) 0.0196 (4) 0.0347 (14)
H16A 0.714618 0.376924 −0.022083 0.042*
H16B 0.782239 0.285487 0.032601 0.042*
Cl2 0.53120 (11) 0.73439 (19) 0.07190 (12) 0.0537 (5)
O1W 0.3515 (3) 0.3850 (6) 0.0849 (3) 0.0600 (14)
H1WA 0.385 (4) 0.405 (9) 0.038 (3) 0.090*
H1WB 0.393 (4) 0.383 (9) 0.130 (3) 0.090*
O2W 0.1694 (4) 0.5612 (6) 0.5040 (4) 0.0651 (15)
H2WA 0.134 (5) 0.589 (9) 0.548 (5) 0.098*
H2WB 0.222 (3) 0.602 (8) 0.514 (6) 0.098*
O3W 0.1194 (3) 0.1039 (6) 0.3118 (3) 0.0619 (15)
H3WA 0.104 (5) 0.075 (8) 0.259 (3) 0.093*
H3WB 0.073 (4) 0.148 (8) 0.329 (5) 0.093*