x | y | z | Uiso*/Ueq | ||
C1 | 0.7621 (3) | 0.0311 (2) | 0.28917 (15) | 0.0254 (4) | |
C2 | 0.7226 (3) | 0.1072 (2) | 0.15528 (14) | 0.0264 (4) | |
H2 | 0.8399 | 0.1004 | 0.1013 | 0.032* | |
C3 | 0.5262 (3) | 0.1847 (2) | 0.10941 (15) | 0.0255 (4) | |
H3A | 0.4138 | 0.1903 | 0.1666 | 0.031* | |
C4 | 0.4642 (3) | 0.2624 (2) | −0.01989 (14) | 0.0227 (3) | |
C5 | 0.6151 (3) | 0.2576 (2) | −0.11683 (15) | 0.0251 (4) | |
H5 | 0.7604 | 0.2042 | −0.0994 | 0.030* | |
C6 | 0.5499 (3) | 0.3310 (2) | −0.23713 (14) | 0.0251 (4) | |
C7 | 0.3322 (3) | 0.4163 (2) | −0.26497 (14) | 0.0228 (3) | |
C8 | 0.1815 (3) | 0.4196 (2) | −0.17098 (14) | 0.0259 (4) | |
H8 | 0.0363 | 0.4734 | −0.1888 | 0.031* | |
C9 | 0.2482 (3) | 0.3420 (2) | −0.04956 (14) | 0.0260 (4) | |
H9 | 0.1458 | 0.3434 | 0.0134 | 0.031* | |
Na | 0.44737 (11) | 0.27100 (10) | 0.47948 (6) | 0.0348 (2) | |
O1 | 0.95808 (19) | −0.0433 (2) | 0.32325 (11) | 0.0363 (3) | |
O2 | 0.60826 (19) | 0.04183 (18) | 0.36431 (10) | 0.0328 (3) | |
O3 | 0.6857 (2) | 0.3298 (2) | −0.33673 (11) | 0.0387 (3) | |
H3 | 0.800 (3) | 0.243 (4) | −0.314 (2) | 0.070 (8)* | |
O4 | 0.2845 (2) | 0.48950 (18) | −0.38767 (10) | 0.0304 (3) | |
H4 | 0.164 (3) | 0.558 (3) | −0.391 (2) | 0.053 (7)* | |
O5 | 0.0849 (2) | 0.2438 (2) | 0.43233 (13) | 0.0345 (3) | |
H5A | 0.070 (4) | 0.163 (3) | 0.391 (2) | 0.061 (8)* | |
H5B | 0.070 (4) | 0.187 (4) | 0.5048 (17) | 0.059 (7)* |