| x | y | z | Uiso*/Ueq | ||
| Fe1 | 0.29866 (5) | 0.10003 (4) | 0.31022 (3) | 0.0488 | |
| C1 | 0.1074 (4) | 0.0794 (3) | 0.4007 (3) | 0.0518 | |
| C2 | 0.2591 (4) | 0.0175 (3) | 0.4488 (3) | 0.0575 | |
| C3 | 0.3047 (5) | −0.0793 (3) | 0.3799 (3) | 0.0668 | |
| C4 | 0.1850 (6) | −0.0782 (3) | 0.2897 (3) | 0.0710 | |
| C5 | 0.0628 (4) | 0.0191 (4) | 0.3004 (3) | 0.0622 | |
| C6 | 0.3496 (7) | 0.2904 (4) | 0.2979 (5) | 0.0866 | |
| C7 | 0.4938 (7) | 0.2257 (5) | 0.3366 (4) | 0.0928 | |
| C8 | 0.5285 (7) | 0.1368 (5) | 0.2642 (8) | 0.1210 | |
| C9 | 0.4034 (14) | 0.1459 (8) | 0.1794 (5) | 0.1336 | |
| C10 | 0.2955 (7) | 0.2426 (7) | 0.2031 (5) | 0.1036 | |
| C11 | 0.0220 (4) | 0.1842 (3) | 0.4417 (3) | 0.0543 | |
| C12 | −0.0531 (4) | 0.2707 (4) | 0.4767 (3) | 0.0594 | |
| C13 | −0.1411 (5) | 0.3705 (4) | 0.5177 (3) | 0.0665 | |
| C14 | −0.2128 (5) | 0.4495 (4) | 0.5504 (4) | 0.0755 | |
| H2 | 0.3169 | 0.0377 | 0.5142 | 0.0693* | |
| H3 | 0.3970 | −0.1349 | 0.3926 | 0.0865* | |
| H4 | 0.1871 | −0.1323 | 0.2320 | 0.0850* | |
| H5 | −0.0298 | 0.0394 | 0.2515 | 0.0744* | |
| H6 | 0.2992 | 0.3561 | 0.3327 | 0.1061* | |
| H7 | 0.5582 | 0.2387 | 0.4013 | 0.1128* | |
| H8 | 0.6195 | 0.0796 | 0.2682 | 0.1788* | |
| H9 | 0.3901 | 0.0972 | 0.1180 | 0.1600* | |
| H10 | 0.2000 | 0.2722 | 0.1607 | 0.1248* | |
| H15 | −0.2661 | 0.5084 | 0.5739 | 0.0916* |