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Information card for entry 2220597
Preview
Coordinates | 2220597.cif |
---|---|
Structure factors | 2220597.hkl |
Original IUCr paper | HTML |
Chemical name | Aqua(1,10-phenanthroline)(pyridine-2,6-dicarboxylato)nickel(II) pyridine-2,6-dicarboxylic acid solvate tetrahydrate |
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Formula | C26 H26 N4 Ni O13 |
Calculated formula | C26 H26 N4 Ni O13 |
SMILES | [Ni]123(OC(=O)c4[n]2c(ccc4)C(=O)O1)([n]1cccc2ccc4ccc[n]3c4c12)[OH2].OC(=O)c1nc(ccc1)C(=O)O.O.O.O.O |
Title of publication | Aqua(1,10-phenanthroline)(pyridine-2,6-dicarboxylato)nickel(II) pyridine-2,6-dicarboxylic acid solvate tetrahydrate |
Authors of publication | Safaei-Ghomi, Javad; Aghabozorg, Hossein; Motyeian, Elham; Ghadermazi, Mohammad |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 1 |
Pages of publication | m2 - m3 |
a | 9.9454 ± 0.0007 Å |
b | 11.3524 ± 0.0007 Å |
c | 12.7687 ± 0.001 Å |
α | 76.527 ± 0.002° |
β | 81.252 ± 0.002° |
γ | 76.131 ± 0.002° |
Cell volume | 1354 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0385 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0893 |
Weighted residual factors for all reflections included in the refinement | 0.0918 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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