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Information card for entry 7701827
Preview
Coordinates | 7701827.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis-[2-methyl-4,6-(pyrazol-1-yl)pyrimidine]-di-isoselenocyanato iron(II) |
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Formula | C24 H20 Fe N14 Se2 |
Calculated formula | C24 H20 Fe N14 Se2 |
Title of publication | Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands |
Authors of publication | Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm |
Journal of publication | Dalton Transactions |
Year of publication | 2019 |
a | 8.1773 ± 0.0004 Å |
b | 12.1684 ± 0.0006 Å |
c | 14.1965 ± 0.0008 Å |
α | 77.437 ± 0.004° |
β | 83.062 ± 0.004° |
γ | 89.966 ± 0.004° |
Cell volume | 1368.22 ± 0.12 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1119 |
Weighted residual factors for all reflections included in the refinement | 0.1173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7701827.html
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