x | y | z | Uiso*/Ueq | ||
I1 | 0.49323 (2) | 0.32275 (2) | 0.93280 (2) | 0.02074 (5) | |
F1 | 0.21264 (18) | 0.11841 (13) | 0.85256 (11) | 0.0253 (4) | |
N1 | 0.6063 (3) | 0.52854 (19) | 0.84397 (16) | 0.0228 (5) | |
C1 | 0.5221 (3) | 0.5211 (2) | 0.75898 (19) | 0.0203 (6) | |
H1 | 0.442392 | 0.455214 | 0.742023 | 0.024* | |
I2 | 0.02348 (2) | −0.12845 (2) | 0.89212 (2) | 0.01983 (5) | |
F2 | 0.23180 (18) | −0.14839 (13) | 1.08815 (11) | 0.0245 (3) | |
N2 | 0.7521 (3) | 0.70747 (19) | 0.80721 (16) | 0.0228 (5) | |
C2 | 0.7169 (3) | 0.6221 (2) | 0.8639 (2) | 0.0215 (6) | |
H2 | 0.776741 | 0.628608 | 0.924803 | 0.026* | |
I3 | 1.23452 (2) | 0.97142 (2) | 0.34507 (2) | 0.02347 (5) | |
F3 | 0.47643 (17) | −0.00515 (14) | 1.18660 (11) | 0.0240 (3) | |
N3 | −0.0078 (3) | 0.5104 (2) | 0.17456 (18) | 0.0288 (6) | |
C3 | 0.6668 (3) | 0.6985 (2) | 0.7221 (2) | 0.0229 (6) | |
H3 | 0.689419 | 0.757418 | 0.679287 | 0.027* | |
I4 | 0.70571 (2) | 1.18190 (2) | 0.39166 (2) | 0.01903 (5) | |
F4 | 0.58522 (17) | 0.20184 (14) | 1.12306 (11) | 0.0256 (4) | |
C4 | 0.5460 (3) | 0.6057 (2) | 0.69404 (19) | 0.0176 (5) | |
F5 | 1.03550 (16) | 1.15246 (12) | 0.36927 (11) | 0.0219 (3) | |
C5 | 0.4513 (3) | 0.5954 (2) | 0.6039 (2) | 0.0203 (6) | |
F6 | 0.56017 (17) | 0.91354 (14) | 0.39466 (14) | 0.0306 (4) | |
C6 | 0.3687 (3) | 0.5801 (2) | 0.5296 (2) | 0.0199 (5) | |
F7 | 0.67827 (19) | 0.72914 (14) | 0.38368 (16) | 0.0402 (5) | |
C7 | 0.2714 (3) | 0.5631 (2) | 0.44040 (19) | 0.0192 (5) | |
F8 | 0.97066 (19) | 0.75248 (14) | 0.36268 (14) | 0.0338 (4) | |
C8 | 0.2961 (3) | 0.6402 (2) | 0.36941 (19) | 0.0200 (5) | |
H8 | 0.378242 | 0.705295 | 0.381043 | 0.024* | |
C9 | 0.2039 (3) | 0.6246 (2) | 0.2823 (2) | 0.0203 (6) | |
H9 | 0.223836 | 0.678728 | 0.235226 | 0.024* | |
C10 | 0.0812 (3) | 0.5295 (2) | 0.2628 (2) | 0.0202 (5) | |
C11 | 0.0557 (3) | 0.4526 (2) | 0.3355 (2) | 0.0236 (6) | |
H11 | −0.027198 | 0.387958 | 0.324617 | 0.028* | |
C12 | 0.1480 (3) | 0.4689 (2) | 0.4219 (2) | 0.0239 (6) | |
H12 | 0.127870 | 0.415619 | 0.469581 | 0.029* | |
C13 | 0.0052 (4) | 0.6021 (3) | 0.1095 (2) | 0.0473 (10) | |
H13A | −0.025722 | 0.666905 | 0.138573 | 0.071* | |
H13B | −0.060174 | 0.575019 | 0.048978 | 0.071* | |
H13C | 0.110369 | 0.626297 | 0.097130 | 0.071* | |
C14 | −0.1542 (3) | 0.4298 (3) | 0.1657 (3) | 0.0378 (8) | |
H14A | −0.139652 | 0.353862 | 0.180913 | 0.057* | |
H14B | −0.204986 | 0.426549 | 0.099927 | 0.057* | |
H14C | −0.216383 | 0.454809 | 0.210428 | 0.057* | |
C15 | 0.4006 (3) | 0.1649 (2) | 0.98576 (19) | 0.0193 (5) | |
C16 | 0.2772 (3) | 0.0880 (2) | 0.93589 (18) | 0.0179 (5) | |
C17 | 0.2162 (3) | −0.0179 (2) | 0.96755 (18) | 0.0174 (5) | |
C18 | 0.2848 (3) | −0.0463 (2) | 1.05331 (19) | 0.0186 (5) | |
C19 | 0.4083 (3) | 0.0263 (2) | 1.10472 (18) | 0.0176 (5) | |
C20 | 0.4647 (3) | 0.1320 (2) | 1.07115 (19) | 0.0188 (5) | |
C21 | 1.0096 (3) | 0.9535 (2) | 0.36423 (18) | 0.0171 (5) | |
C22 | 0.9461 (3) | 1.0476 (2) | 0.37107 (18) | 0.0162 (5) | |
C23 | 0.7959 (3) | 1.0382 (2) | 0.38056 (18) | 0.0167 (5) | |
C24 | 0.7064 (3) | 0.9287 (2) | 0.3845 (2) | 0.0201 (6) | |
C25 | 0.7661 (3) | 0.8338 (2) | 0.3796 (2) | 0.0246 (6) | |
C26 | 0.9165 (3) | 0.8463 (2) | 0.3691 (2) | 0.0207 (6) |