| x | y | z | Uiso*/Ueq | ||
| Sr1 | 0.50000 | 0.50000 | 0.50000 | 0.0271 (2) | |
| O1 | 0.3110 (6) | 0.2631 (5) | 0.5968 (5) | 0.0511 (12) | |
| N1 | −0.0566 (7) | −0.7449 (6) | −0.3419 (5) | 0.0468 (16) | |
| N2 | −0.2033 (7) | −0.8777 (6) | −0.4402 (6) | 0.0478 (16) | |
| N3 | −0.3273 (6) | −0.8089 (6) | −0.4930 (6) | 0.0480 (16) | |
| N4 | −0.2656 (6) | −0.6290 (6) | −0.4306 (5) | 0.0451 (14) | |
| N5 | 0.3031 (6) | 0.1033 (6) | 0.0479 (5) | 0.0411 (12) | |
| N6 | 0.4352 (6) | 0.3262 (6) | 0.2555 (5) | 0.0435 (14) | |
| C1 | −0.0992 (7) | −0.5942 (7) | −0.3381 (6) | 0.0402 (17) | |
| C2 | 0.0161 (7) | −0.4150 (7) | −0.2417 (6) | 0.0418 (17) | |
| C3 | 0.1352 (8) | −0.3925 (8) | −0.1057 (7) | 0.0477 (17) | |
| C4 | 0.2324 (8) | −0.2232 (7) | −0.0114 (7) | 0.0481 (17) | |
| C5 | 0.2105 (7) | −0.0735 (7) | −0.0516 (6) | 0.0403 (17) | |
| C6 | 0.0955 (8) | −0.0935 (7) | −0.1875 (6) | 0.0473 (17) | |
| C7 | −0.0003 (8) | −0.2634 (7) | −0.2825 (6) | 0.0454 (17) | |
| C8 | 0.3753 (8) | 0.1501 (7) | 0.1989 (6) | 0.0433 (17) | |
| C9 | 0.4015 (8) | 0.3956 (7) | 0.1358 (6) | 0.0460 (17) | |
| C10 | 0.3208 (8) | 0.2604 (7) | 0.0071 (6) | 0.0475 (17) | |
| H1C | 0.20900 | 0.27310 | 0.61930 | 0.0610* | |
| H1D | 0.29230 | 0.15410 | 0.55030 | 0.0610* | |
| H3 | 0.14980 | −0.49270 | −0.07760 | 0.0580* | |
| H4 | 0.31260 | −0.21000 | 0.07910 | 0.0570* | |
| H6 | 0.08210 | 0.00710 | −0.21560 | 0.0570* | |
| H7 | −0.07670 | −0.27600 | −0.37480 | 0.0540* | |
| H8 | 0.38200 | 0.06900 | 0.25590 | 0.0520* | |
| H9 | 0.42970 | 0.51710 | 0.14180 | 0.0550* | |
| H10 | 0.28420 | 0.27160 | −0.09020 | 0.0570* |