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Information card for entry 2208601
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Coordinates | 2208601.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Pentaaqua(pyridine-3,5-dicarboxylato-κN)nickel(II) dihydrate |
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Formula | C7 H17 N Ni O11 |
Calculated formula | C7 H17 N Ni O11 |
SMILES | [Ni]([OH2])([OH2])([OH2])([OH2])([OH2])[n]1cc(cc(c1)C(=O)[O-])C(=O)[O-].O.O |
Title of publication | Pentaaqua(pyridine-3,5-dicarboxylato-κ<i>N</i>)nickel(II) dihydrate |
Authors of publication | Zhang, Xiang-Pei; Yang, Guang; Ng, Seik Weng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 4 |
Pages of publication | m791 - m792 |
a | 15.743 ± 0.001 Å |
b | 11.697 ± 0.001 Å |
c | 6.995 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1288.1 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.024 |
Residual factor for significantly intense reflections | 0.022 |
Weighted residual factors for significantly intense reflections | 0.064 |
Weighted residual factors for all reflections included in the refinement | 0.066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2208601.html
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