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* |