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Information card for entry 2230703
Preview
Coordinates | 2230703.cif |
---|---|
Structure factors | 2230703.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(8-hydroxy-2-methylquinolinium) bis(pyridine-2,6-dicarboxylato)nickelate(II) methanol monosolvate monohydrate |
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Formula | C35 H32 N4 Ni O12 |
Calculated formula | C35 H32 N4 Ni O12 |
SMILES | [Ni]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.Oc1cccc2ccc([nH+]c12)C.Oc1cccc2ccc([nH+]c12)C.OC.O |
Title of publication | Bis(8-hydroxy-2-methylquinolinium) bis(pyridine-2,6-dicarboxylato)nickelate(II) methanol monosolvate monohydrate |
Authors of publication | Aghabozorg, Hossein; Gholizadeh, Ahmad; Mirzaei, Masoud; Notash, Behrouz; Moshki, Niloofar |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 7 |
Pages of publication | m891 - m892 |
a | 10.1 ± 0.002 Å |
b | 12.733 ± 0.003 Å |
c | 14.638 ± 0.003 Å |
α | 115.45 ± 0.03° |
β | 98.73 ± 0.03° |
γ | 95.89 ± 0.03° |
Cell volume | 1650.1 ± 0.8 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0591 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.1332 |
Weighted residual factors for all reflections included in the refinement | 0.1383 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2230703.html
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