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Information card for entry 4341719
Preview
Coordinates | 4341719.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H20 Fe N8 Se2 |
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Calculated formula | C24 H20 Fe N8 Se2 |
SMILES | c1ccc(c2[n]1[Fe]13(N=C=[Se])([n]4cccc(c4Nc4cccc([n]34)c3cccc(N2)[n]13)C)N=C=[Se])C |
Title of publication | Influence of Selenocyanate Ligands on the Transition Temperature and Cooperativity of bapbpy-Based Fe(II) Spin-Crossover Compounds. |
Authors of publication | Zheng, Sipeng; Siegler, Maxime A.; Roubeau, Olivier; Bonnet, Sylvestre |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Pages of publication | 141120111827001 |
a | 13.2071 ± 0.0003 Å |
b | 13.3999 ± 0.0003 Å |
c | 14.0838 ± 0.0003 Å |
α | 90° |
β | 105.467 ± 0.002° |
γ | 90° |
Cell volume | 2402.2 ± 0.1 Å3 |
Cell temperature | 102 ± 2 K |
Ambient diffraction temperature | 102 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0289 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0596 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4341719.html
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