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Information card for entry 7706565
Preview
Coordinates | 7706565.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 3(ClO4)-MeOH-153K |
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Chemical name | 3(ClO4)-MeOH-153K |
Formula | C47 H42 Cl2 Fe N6 O13 |
Calculated formula | C47 H42 Cl2 Fe N6 O13 |
Title of publication | Ligand symmetry significantly affects spin crossover behaviour in isomeric [Fe(pybox)<sub>2</sub>]<sup>2+</sup> complexes. |
Authors of publication | Wang, Run-Guo; Meng, Yin-Shan; Gao, Fang-Fang; Gao, Wan-Qing; Liu, Chun-Hua; Li, Anyang; Liu, Tao; Zhu, Yuan-Yuan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 9 |
Pages of publication | 3369 - 3378 |
a | 13.856 ± 0.003 Å |
b | 18.314 ± 0.004 Å |
c | 17.523 ± 0.004 Å |
α | 90° |
β | 90.47 ± 0.03° |
γ | 90° |
Cell volume | 4446.5 ± 1.7 Å3 |
Cell temperature | 153.15 K |
Ambient diffraction temperature | 153.15 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.063 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.1223 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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