Information card for entry 7713880
| Formula |
C100 H71 B4 F16 Fe3 N28 |
| Calculated formula |
C100 H71 B4 F16 Fe3 N28 |
| Title of publication |
Structural dynamics of a thermally silent triiron(II) spin crossover defect grid complex. |
| Authors of publication |
Velazquez-Garcia, Jose de Jesus; Basuroy, Krishnayan; Storozhuk, Darina; Wong, Joanne; Demeshko, Serhiy; Meyer, Franc; Henning, Robert; Techert, Simone |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2023 |
| a |
14.23 ± 0.003 Å |
| b |
14.62 ± 0.003 Å |
| c |
24.84 ± 0.005 Å |
| α |
90.48 ± 0.03° |
| β |
95.68 ± 0.03° |
| γ |
109.09 ± 0.03° |
| Cell volume |
4855 ± 2 Å3 |
| Cell temperature |
300 K |
| Ambient diffraction temperature |
300 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0739 |
| Residual factor for significantly intense reflections |
0.0669 |
| Weighted residual factors for significantly intense reflections |
0.2145 |
| Weighted residual factors for all reflections included in the refinement |
0.2299 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
| Diffraction radiation wavelength |
0.6199 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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