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Information card for entry 7701824
Preview
Coordinates | 7701824.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Catena-[2-amino-4,6-(pyrazol-1-yl)pyrimidine]-di-isothiocyanato iron(II) |
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Formula | C12 H9 Fe N9 S2 |
Calculated formula | C12 H9 Fe N9 S2 |
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 | 16.0404 ± 0.0002 Å |
b | 16.0404 ± 0.0002 Å |
c | 25.1086 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6460.3 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1067 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for significantly intense reflections | 0.1533 |
Weighted residual factors for all reflections included in the refinement | 0.1753 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.904 |
Diffraction radiation wavelength | 0.6889 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7701824.html
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Users of the data should acknowledge the original authors of the
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