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Information card for entry 7701822
Preview
Coordinates | 7701822.cif |
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Original paper (by DOI) | HTML |
Chemical name | Catena-[4,6-(pyrazol-1-yl)pyrimidine]-diaquairon(II) diperchlorate |
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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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The link is: https://www.crystallography.net/7701822.html
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