x | y | z | Uiso*/Ueq | ||
O1 | 0.47692 (5) | 0.58283 (9) | 0.36443 (4) | 0.01649 (11) | |
N1 | 0.35298 (5) | 0.86770 (11) | 0.49923 (5) | 0.01570 (12) | |
N2 | 0.43455 (5) | 0.74179 (11) | 0.49437 (5) | 0.01560 (12) | |
C1 | 0.22589 (7) | 1.31323 (13) | 0.36124 (7) | 0.02077 (15) | |
C2 | 0.12483 (7) | 1.45257 (14) | 0.33028 (7) | 0.02375 (16) | |
C3 | 0.07738 (7) | 1.44773 (14) | 0.41354 (7) | 0.02298 (16) | |
C4 | 0.05310 (7) | 1.21880 (14) | 0.43594 (7) | 0.02146 (16) | |
C5 | 0.15219 (7) | 1.07543 (13) | 0.46434 (7) | 0.01902 (14) | |
C6 | 0.19853 (6) | 1.08190 (12) | 0.37959 (6) | 0.01492 (13) | |
C7 | 0.29215 (6) | 0.93410 (11) | 0.40136 (5) | 0.01425 (13) | |
C8 | 0.41832 (6) | 0.71084 (12) | 0.39255 (5) | 0.01420 (13) | |
C9 | 0.32907 (6) | 0.83939 (12) | 0.33169 (5) | 0.01507 (13) | |
C10 | 0.28323 (7) | 0.85575 (15) | 0.21552 (6) | 0.02220 (16) | |
O1W | 0.39076 (5) | 0.38748 (10) | 0.17409 (5) | 0.02017 (12) | |
H1A | 0.2820 (10) | 1.3696 (19) | 0.4284 (10) | 0.026 (3)* | |
H1B | 0.2551 (10) | 1.319 (2) | 0.3063 (11) | 0.030 (3)* | |
H2A | 0.0700 (11) | 1.398 (2) | 0.2637 (11) | 0.029 (3)* | |
H2B | 0.1410 (11) | 1.602 (2) | 0.3181 (11) | 0.033 (3)* | |
H3A | 0.1301 (11) | 1.516 (2) | 0.4797 (10) | 0.028 (3)* | |
H3B | 0.0083 (10) | 1.536 (2) | 0.3909 (10) | 0.027 (3)* | |
H4A | −0.0056 (10) | 1.161 (2) | 0.3741 (11) | 0.029 (3)* | |
H4B | 0.0270 (10) | 1.214 (2) | 0.4932 (10) | 0.028 (3)* | |
H5A | 0.2079 (11) | 1.124 (2) | 0.5307 (11) | 0.032 (3)* | |
H5B | 0.1334 (10) | 0.922 (2) | 0.4749 (10) | 0.025 (3)* | |
H6 | 0.1416 (10) | 1.028 (2) | 0.3127 (9) | 0.020 (3)* | |
H10A | 0.2285 (15) | 0.956 (3) | 0.1918 (15) | 0.066 (5)* | |
H10B | 0.3351 (14) | 0.891 (3) | 0.1877 (13) | 0.053 (5)* | |
H10C | 0.2553 (13) | 0.719 (3) | 0.1795 (14) | 0.060 (5)* | |
H1N1 | 0.3647 (11) | 0.938 (2) | 0.5581 (11) | 0.033 (3)* | |
H1N2 | 0.4682 (11) | 0.646 (2) | 0.5476 (11) | 0.034 (3)* | |
H1W1 | 0.4222 (13) | 0.442 (3) | 0.2377 (13) | 0.046 (4)* | |
H1W2 | 0.4323 (13) | 0.284 (3) | 0.1729 (13) | 0.052 (5)* |