x | y | z | Uiso*/Ueq | ||
F1 | 0.0932 (5) | 0.4231 (2) | 0.51007 (19) | 0.0563 (9) | |
F2 | 0.2755 (6) | 0.52826 (18) | 0.4634 (2) | 0.0575 (10) | |
F3 | 0.1757 (5) | 0.42585 (19) | 0.38129 (17) | 0.0456 (8) | |
F4 | 0.5987 (6) | 0.50612 (18) | 0.33789 (17) | 0.0565 (9) | |
F5 | 0.6160 (6) | 0.5157 (2) | 0.16979 (18) | 0.0609 (10) | |
F6 | 0.5614 (6) | 0.3674 (3) | 0.07762 (16) | 0.0612 (10) | |
F7 | 0.4985 (6) | 0.2089 (2) | 0.15264 (18) | 0.0566 (9) | |
F8 | 0.4847 (5) | 0.19857 (17) | 0.32018 (16) | 0.0456 (8) | |
O1 | 0.3633 (7) | 0.4664 (2) | 0.6435 (2) | 0.0496 (10) | |
N1 | 0.5368 (7) | 0.3474 (2) | 0.4207 (2) | 0.0351 (10) | |
N2 | 0.6809 (7) | 0.2985 (3) | 0.4582 (2) | 0.0418 (11) | |
N3 | 0.6565 (8) | 0.3072 (3) | 0.5387 (2) | 0.0410 (10) | |
C1 | 0.5367 (8) | 0.3525 (3) | 0.3316 (3) | 0.0339 (11) | |
C2 | 0.5726 (8) | 0.4330 (3) | 0.2930 (3) | 0.0396 (12) | |
C3 | 0.5793 (9) | 0.4382 (4) | 0.2066 (3) | 0.0451 (13) | |
C4 | 0.5531 (9) | 0.3623 (4) | 0.1611 (3) | 0.0430 (13) | |
C5 | 0.5215 (9) | 0.2822 (3) | 0.1983 (3) | 0.0405 (12) | |
C6 | 0.5130 (8) | 0.2771 (3) | 0.2847 (3) | 0.0357 (11) | |
C7 | 0.4210 (8) | 0.3878 (3) | 0.4781 (3) | 0.0319 (11) | |
C8 | 0.4981 (8) | 0.3615 (3) | 0.5531 (3) | 0.0337 (11) | |
C9 | 0.4375 (9) | 0.3934 (3) | 0.6379 (3) | 0.0385 (13) | |
C10 | 0.4732 (8) | 0.3363 (3) | 0.7117 (3) | 0.0345 (11) | |
C11 | 0.5049 (8) | 0.2451 (3) | 0.7063 (3) | 0.0340 (10) | |
H11 | 0.509418 | 0.217046 | 0.653465 | 0.041* | |
C12 | 0.5297 (8) | 0.1955 (3) | 0.7776 (3) | 0.0360 (11) | |
H12 | 0.549256 | 0.133197 | 0.773331 | 0.043* | |
C13 | 0.5267 (8) | 0.2352 (3) | 0.8560 (3) | 0.0374 (12) | |
C14 | 0.4964 (10) | 0.3264 (3) | 0.8609 (3) | 0.0454 (14) | |
H14 | 0.494442 | 0.354584 | 0.913774 | 0.054* | |
C15 | 0.4693 (9) | 0.3765 (3) | 0.7897 (3) | 0.0438 (14) | |
H15 | 0.447771 | 0.438645 | 0.794080 | 0.053* | |
C16 | 0.5547 (10) | 0.1808 (3) | 0.9339 (3) | 0.0493 (16) | |
H16A | 0.562191 | 0.117776 | 0.919256 | 0.074* | |
H16B | 0.442677 | 0.190607 | 0.971434 | 0.074* | |
H16C | 0.677506 | 0.198827 | 0.961531 | 0.074* | |
C17 | 0.2417 (9) | 0.4415 (3) | 0.4588 (3) | 0.0405 (12) |