x | y | z | Uiso*/Ueq | ||
N1A | 0.32105 (18) | 0.84571 (11) | 0.67893 (11) | 0.0229 (4) | |
N8A | 0.36282 (18) | 0.67732 (12) | 0.62864 (11) | 0.0241 (5) | |
C2A | 0.2390 (2) | 0.94651 (14) | 0.66676 (13) | 0.0256 (5) | |
C3A | 0.3174 (2) | 1.01454 (14) | 0.58999 (14) | 0.0291 (6) | |
C4A | 0.2728 (2) | 0.98456 (14) | 0.48576 (14) | 0.0288 (6) | |
C5A | 0.3145 (2) | 0.87339 (14) | 0.45932 (13) | 0.0271 (5) | |
C6A | 0.2207 (2) | 0.79201 (14) | 0.51882 (13) | 0.0262 (5) | |
C7A | 0.3028 (2) | 0.77086 (13) | 0.61456 (13) | 0.0209 (5) | |
C9A | 0.4591 (2) | 0.64922 (14) | 0.71447 (13) | 0.0262 (5) | |
C10A | 0.5429 (2) | 0.74497 (13) | 0.75333 (13) | 0.0280 (6) | |
C11A | 0.4170 (2) | 0.82988 (15) | 0.76868 (13) | 0.0302 (6) | |
O11B | 0.28719 (17) | 0.51621 (9) | 0.51597 (9) | 0.0320 (4) | |
O12B | 0.29529 (19) | 0.56473 (11) | 0.36120 (11) | 0.0428 (5) | |
N4B | 0.6170 (2) | 0.11141 (13) | 0.33808 (12) | 0.0296 (5) | |
C1B | 0.3958 (2) | 0.39741 (13) | 0.40190 (12) | 0.0206 (5) | |
C2B | 0.43611 (19) | 0.36990 (13) | 0.30648 (12) | 0.0212 (5) | |
C3B | 0.5089 (2) | 0.27615 (13) | 0.28504 (12) | 0.0220 (5) | |
C4B | 0.5475 (2) | 0.20495 (13) | 0.35867 (13) | 0.0220 (5) | |
C5B | 0.5100 (2) | 0.23325 (13) | 0.45489 (12) | 0.0243 (5) | |
C6B | 0.4347 (2) | 0.32664 (13) | 0.47496 (13) | 0.0227 (5) | |
C11B | 0.3204 (2) | 0.50006 (14) | 0.42672 (14) | 0.0238 (5) | |
H8A | 0.342 (2) | 0.6279 (14) | 0.5850 (13) | 0.0290* | |
H10A | 0.59810 | 0.72880 | 0.81580 | 0.0340* | |
H11A | 0.34180 | 0.81070 | 0.82260 | 0.0360* | |
H12A | 0.47390 | 0.89490 | 0.78670 | 0.0360* | |
H13A | 0.62810 | 0.76860 | 0.70660 | 0.0340* | |
H21A | 0.24080 | 0.98360 | 0.72980 | 0.0310* | |
H22A | 0.12200 | 0.93460 | 0.64920 | 0.0310* | |
H31A | 0.43890 | 1.01140 | 0.59740 | 0.0350* | |
H32A | 0.28290 | 1.08700 | 0.60140 | 0.0350* | |
H41A | 0.15290 | 0.99540 | 0.47620 | 0.0350* | |
H42A | 0.33170 | 1.03140 | 0.44050 | 0.0350* | |
H51A | 0.43450 | 0.86260 | 0.46870 | 0.0320* | |
H52A | 0.29000 | 0.86260 | 0.38940 | 0.0320* | |
H61A | 0.10660 | 0.81660 | 0.53060 | 0.0310* | |
H62A | 0.21410 | 0.72690 | 0.48100 | 0.0310* | |
H91A | 0.54280 | 0.59660 | 0.69700 | 0.0310* | |
H92A | 0.38570 | 0.61950 | 0.76490 | 0.0310* | |
H2B | 0.41290 | 0.41690 | 0.25510 | 0.0250* | |
H3B | 0.53320 | 0.25950 | 0.21920 | 0.0260* | |
H5B | 0.53680 | 0.18760 | 0.50670 | 0.0290* | |
H6B | 0.40870 | 0.34320 | 0.54060 | 0.0270* | |
H41B | 0.666 (2) | 0.0742 (16) | 0.3845 (13) | 0.0360* | |
H42B | 0.647 (2) | 0.0939 (16) | 0.2759 (12) | 0.0360* |