x | y | z | Uiso*/Ueq | ||
O1 | 0.60929 (9) | 0.14448 (9) | 0.47684 (6) | 0.01684 (17) | |
O2 | 0.70729 (9) | 0.29533 (9) | 0.65117 (6) | 0.01718 (17) | |
O3 | 1.13635 (9) | −0.14728 (9) | 0.74975 (6) | 0.01826 (17) | |
O4 | 0.97394 (10) | −0.42986 (9) | 0.67891 (6) | 0.02146 (19) | |
O5 | 1.11804 (9) | −0.37894 (9) | 0.54429 (6) | 0.01912 (18) | |
N1 | 1.01058 (10) | −0.34927 (10) | 0.60140 (7) | 0.01427 (18) | |
C1 | 0.71200 (11) | 0.03181 (12) | 0.50785 (8) | 0.01280 (18) | |
C2 | 0.71889 (11) | −0.10405 (12) | 0.44177 (8) | 0.01457 (19) | |
C3 | 0.81830 (11) | −0.22605 (12) | 0.47321 (8) | 0.01431 (19) | |
C4 | 0.91370 (11) | −0.21081 (11) | 0.56968 (8) | 0.01219 (18) | |
C5 | 0.91680 (11) | −0.07504 (11) | 0.63367 (7) | 0.01156 (18) | |
C6 | 1.03288 (11) | −0.05166 (12) | 0.72840 (8) | 0.01326 (19) | |
C7 | 1.02414 (12) | 0.09636 (13) | 0.79222 (8) | 0.0172 (2) | |
C8 | 0.91880 (12) | 0.20847 (12) | 0.76649 (8) | 0.0168 (2) | |
C9 | 0.80517 (11) | 0.19086 (12) | 0.67159 (8) | 0.01387 (19) | |
C10 | 0.81225 (11) | 0.04769 (11) | 0.60319 (8) | 0.01189 (18) | |
H8 | 0.9139 (16) | 0.3051 (18) | 0.8063 (12) | 0.022 (4)* | |
H2 | 0.6513 (17) | −0.1106 (19) | 0.3752 (12) | 0.025 (4)* | |
H3 | 0.8222 (16) | −0.3231 (18) | 0.4307 (12) | 0.020 (3)* | |
H7 | 1.1034 (18) | 0.1097 (19) | 0.8530 (13) | 0.029 (4)* | |
H1O1 | 0.620 (2) | 0.223 (2) | 0.5255 (16) | 0.049 (5)* |