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Information card for entry 4328952
Preview
Coordinates | 4328952.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H12 B2 F8 Fe N24 |
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Calculated formula | C12 H12 B2 F8 Fe N24 |
Title of publication | New Iron(II) Spin Crossover Coordination Polymers [Fe(μ-atrz)3]X2.2H2O (X = ClO4-, BF4-) and [Fe(μ-atrz)(μ-pyz)(NCS)2].4H2O with an Interesting Solvent Effect |
Authors of publication | Yu-Chun Chuang; Chi-Tsun Liu; Chou-Fu Sheu; Wei-Lun Ho; Gene-Hsiang Lee; Chih-Cheh Wang; Yu Wang |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 4663 - 4671 |
a | 8.1446 ± 0.0004 Å |
b | 20.2603 ± 0.0008 Å |
c | 8.8515 ± 0.0004 Å |
α | 90° |
β | 90.061 ± 0.003° |
γ | 90° |
Cell volume | 1460.6 ± 0.11 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 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 | 0.1368 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1208 |
Weighted residual factors for all reflections included in the refinement | 0.154 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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