x | y | z | Uiso*/Ueq | ||
Cl1 | 0.42856 (5) | 0.16233 (3) | −0.07860 (2) | 0.01668 (7) | |
Cl2 | 1.13911 (5) | 0.28348 (3) | 0.52483 (2) | 0.01730 (7) | |
O1 | 0.03685 (16) | −0.10701 (11) | −0.14946 (5) | 0.02014 (18) | |
O2 | 0.33010 (15) | 0.24516 (10) | 0.08473 (5) | 0.01729 (17) | |
O3 | 1.55337 (16) | 0.23416 (11) | 0.62981 (5) | 0.01865 (17) | |
O4 | 1.14201 (15) | 0.00027 (10) | 0.38854 (5) | 0.01586 (16) | |
O5 | 0.18017 (16) | 0.33437 (10) | 0.25526 (5) | 0.01818 (17) | |
H5 | 0.118 (3) | 0.263 (2) | 0.2115 (10) | 0.027* | |
O6 | 0.74923 (17) | 0.40347 (11) | 0.05992 (5) | 0.02044 (18) | |
H6 | 0.617 (3) | 0.350 (2) | 0.0681 (11) | 0.031* | |
N1 | 0.76255 (18) | 0.16991 (12) | 0.35832 (6) | 0.01695 (19) | |
H1 | 0.896 (3) | 0.128 (2) | 0.3779 (10) | 0.025* | |
N2 | 1.04584 (18) | 0.71260 (12) | 0.25721 (6) | 0.01696 (19) | |
H2 | 1.114 (3) | 0.777 (2) | 0.2998 (10) | 0.025* | |
C1 | 0.02618 (19) | −0.05358 (13) | −0.08002 (6) | 0.01355 (19) | |
C2 | 0.19204 (19) | 0.07509 (13) | −0.03554 (6) | 0.01332 (19) | |
C3 | 0.18242 (19) | 0.13365 (13) | 0.04220 (6) | 0.01289 (19) | |
C4 | 1.52060 (19) | 0.12916 (13) | 0.56903 (6) | 0.01293 (19) | |
C5 | 1.33437 (19) | 0.12624 (13) | 0.51055 (6) | 0.01346 (19) | |
C6 | 1.30221 (19) | 0.00728 (13) | 0.44252 (6) | 0.01271 (19) | |
C7 | 0.6571 (2) | 0.30150 (14) | 0.39505 (7) | 0.0178 (2) | |
H7 | 0.719110 | 0.355184 | 0.445342 | 0.021* | |
C8 | 0.4617 (2) | 0.35945 (14) | 0.36116 (7) | 0.0169 (2) | |
H8 | 0.390102 | 0.453256 | 0.387366 | 0.020* | |
C9 | 0.3693 (2) | 0.27801 (13) | 0.28719 (6) | 0.0141 (2) | |
C10 | 0.4863 (2) | 0.14337 (14) | 0.24949 (6) | 0.0169 (2) | |
H10 | 0.430463 | 0.088006 | 0.198898 | 0.020* | |
C11 | 0.6819 (2) | 0.09297 (15) | 0.28659 (7) | 0.0180 (2) | |
H11 | 0.761693 | 0.002289 | 0.261273 | 0.022* | |
C12 | 0.8247 (2) | 0.62477 (14) | 0.25631 (6) | 0.0169 (2) | |
H12 | 0.743357 | 0.635815 | 0.301370 | 0.020* | |
C13 | 0.7170 (2) | 0.51997 (14) | 0.19096 (6) | 0.0152 (2) | |
H13 | 0.560916 | 0.459117 | 0.190415 | 0.018* | |
C14 | 0.8392 (2) | 0.50334 (13) | 0.12492 (6) | 0.0145 (2) | |
C15 | 1.0695 (2) | 0.59750 (15) | 0.12741 (7) | 0.0178 (2) | |
H15 | 1.155223 | 0.590054 | 0.083294 | 0.021* | |
C16 | 1.1663 (2) | 0.69955 (15) | 0.19462 (7) | 0.0181 (2) | |
H16 | 1.321913 | 0.762460 | 0.197088 | 0.022* |