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Information card for entry 7040723
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Coordinates | 7040723.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C63 H64 B2 Cl2 Fe4 N26 O9 |
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Calculated formula | C63 H64 B2 Cl2 Fe4 N26 O9 |
Title of publication | Spin crossover and reversible single-crystal to single-crystal transformation behaviour in two cyanide-bridged mixed-valence {FeFe} clusters. |
Authors of publication | Zheng, Chunyang; Xu, Juping; Wang, Feng; Tao, Jun; Li, Dongfeng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 43 |
Pages of publication | 17254 - 17263 |
a | 12.858 ± 0.003 Å |
b | 17.264 ± 0.004 Å |
c | 16.783 ± 0.004 Å |
α | 90° |
β | 109.315 ± 0.004° |
γ | 90° |
Cell volume | 3515.8 ± 1.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0949 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.1522 |
Weighted residual factors for all reflections included in the refinement | 0.1782 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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