x | y | z | Uiso*/Ueq | ||
K | 0.24966 (12) | −0.03852 (4) | 0.49817 (17) | 0.04270 (18) | |
B | 0.3952 (4) | 0.1021 (2) | 0.7488 (8) | 0.0421 (8) | |
F1 | 0.2390 (2) | 0.07214 (10) | 0.7452 (5) | 0.0524 (4) | |
F2 | 0.4623 (4) | 0.08281 (14) | 0.6069 (3) | 0.0627 (8) | |
F3 | 0.4710 (3) | 0.05485 (16) | 0.8649 (3) | 0.0714 (9) | |
O1 | 0.5509 (3) | 0.32819 (14) | 0.5091 (4) | 0.0665 (8) | |
O2 | 0.5808 (3) | 0.28932 (14) | 0.2496 (5) | 0.0675 (7) | |
O3 | 0.3979 (3) | −0.12040 (12) | 0.7392 (4) | 0.0516 (6) | |
H1O3 | 0.4374 | −0.1060 | 0.8252 | 0.062* | |
H2O3 | 0.4006 | −0.1711 | 0.7375 | 0.062* | |
C1 | 0.4036 (5) | 0.1914 (2) | 0.7978 (4) | 0.0585 (12) | |
H1 | 0.3581 | 0.2026 | 0.8932 | 0.070* | |
C2 | 0.4642 (5) | 0.2527 (2) | 0.7267 (6) | 0.0614 (11) | |
H2 | 0.4563 | 0.3010 | 0.7758 | 0.074* | |
C3 | 0.5447 (6) | 0.2502 (3) | 0.5726 (5) | 0.0673 (12) | |
H3A | 0.6502 | 0.2297 | 0.5846 | 0.081* | |
H3B | 0.4877 | 0.2159 | 0.5028 | 0.081* | |
C4 | 0.6461 (6) | 0.3325 (2) | 0.3741 (6) | 0.0677 (12) | |
H4 | 0.7499 | 0.3110 | 0.3982 | 0.081* | |
C6 | 0.4336 (7) | 0.3192 (3) | 0.1981 (7) | 0.101 (2) | |
H6A | 0.3585 | 0.3169 | 0.2824 | 0.121* | |
H6B | 0.3944 | 0.2868 | 0.1143 | 0.121* | |
C7 | 0.4488 (8) | 0.4031 (4) | 0.1427 (8) | 0.114 (2) | |
H7A | 0.3468 | 0.4229 | 0.1115 | 0.137* | |
H7B | 0.5183 | 0.4054 | 0.0538 | 0.137* | |
C8 | 0.5146 (8) | 0.4530 (3) | 0.2740 (10) | 0.100 (2) | |
H8A | 0.5340 | 0.5059 | 0.2372 | 0.120* | |
H8B | 0.4392 | 0.4558 | 0.3580 | 0.120* | |
C9 | 0.6638 (8) | 0.4176 (3) | 0.3308 (7) | 0.0904 (17) | |
H9A | 0.6999 | 0.4467 | 0.4205 | 0.108* | |
H9B | 0.7431 | 0.4223 | 0.2507 | 0.108* |