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Information card for entry 7701822
Preview
| Coordinates | 7701822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Catena-[4,6-(pyrazol-1-yl)pyrimidine]-diaquairon(II) diperchlorate |
|---|---|
| Formula | C10 H12 Cl2 Fe N6 O10 |
| Calculated formula | C10 H11 Cl2 Fe N6 O10 |
| 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 | 20.888 ± 0.002 Å |
| b | 9.323 ± 0.002 Å |
| c | 19.916 ± 0.002 Å |
| α | 90° |
| β | 113.519 ± 0.013° |
| γ | 90° |
| Cell volume | 3556.2 ± 1 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1128 |
| Residual factor for significantly intense reflections | 0.0881 |
| Weighted residual factors for significantly intense reflections | 0.2258 |
| Weighted residual factors for all reflections included in the refinement | 0.2503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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