x | y | z | Uiso*/Ueq | ||
F1 | 0.81277 (8) | 0.06726 (14) | 0.14252 (3) | 0.03127 (18) | |
F2 | 1.02229 (7) | 0.75952 (13) | 0.05423 (3) | 0.02670 (16) | |
O1 | 0.76102 (9) | 0.12482 (15) | 0.03141 (3) | 0.02539 (18) | |
N1 | 0.75319 (9) | 0.56187 (17) | 0.01066 (3) | 0.01774 (17) | |
N2 | 0.33842 (13) | 0.5436 (2) | −0.24586 (5) | 0.0384 (3) | |
C1 | 0.91364 (12) | 0.2568 (2) | 0.14216 (4) | 0.0207 (2) | |
C2 | 1.01589 (13) | 0.2889 (2) | 0.18972 (5) | 0.0252 (2) | |
C3 | 1.11850 (12) | 0.4873 (2) | 0.19138 (5) | 0.0246 (2) | |
C4 | 1.11804 (11) | 0.6494 (2) | 0.14589 (5) | 0.0228 (2) | |
C5 | 1.01538 (11) | 0.6060 (2) | 0.09898 (4) | 0.01910 (19) | |
C6 | 0.90844 (10) | 0.41080 (19) | 0.09449 (4) | 0.01688 (18) | |
C7 | 0.80070 (11) | 0.35107 (19) | 0.04285 (4) | 0.01768 (19) | |
C8 | 0.66236 (11) | 0.55108 (19) | −0.04175 (4) | 0.01768 (19) | |
C9 | 0.67895 (12) | 0.7489 (2) | −0.07969 (4) | 0.0207 (2) | |
C10 | 0.59456 (12) | 0.7492 (2) | −0.13217 (5) | 0.0224 (2) | |
C11 | 0.49135 (11) | 0.5511 (2) | −0.14682 (4) | 0.0220 (2) | |
C12 | 0.47172 (12) | 0.3569 (2) | −0.10873 (5) | 0.0231 (2) | |
C13 | 0.55706 (11) | 0.3555 (2) | −0.05623 (4) | 0.0209 (2) | |
C14 | 0.40564 (13) | 0.5474 (2) | −0.20187 (5) | 0.0275 (2) | |
H1N1 | 0.7848 (16) | 0.716 (3) | 0.0216 (6) | 0.031 (4)* | |
H2 | 1.0120 (16) | 0.173 (3) | 0.2194 (6) | 0.031 (4)* | |
H3 | 1.1931 (16) | 0.507 (3) | 0.2249 (6) | 0.031 (4)* | |
H4 | 1.1877 (17) | 0.787 (3) | 0.1456 (6) | 0.028 (4)* | |
H9 | 0.7526 (15) | 0.877 (3) | −0.0683 (6) | 0.022 (3)* | |
H10 | 0.6115 (15) | 0.879 (3) | −0.1573 (6) | 0.026 (4)* | |
H12 | 0.3999 (17) | 0.227 (3) | −0.1180 (6) | 0.031 (4)* | |
H13 | 0.5408 (15) | 0.221 (3) | −0.0309 (6) | 0.026 (4)* |