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Information card for entry 2244156
Preview
Coordinates | 2244156.cif |
---|---|
Structure factors | 2244156.hkl |
Original IUCr paper | HTML |
Common name | Hexaaquacobalt(II) bis(3-carboxy-4-hydroxybenzenesulfonate) dihydrate |
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Formula | C14 H26 Co O18 S2 |
Calculated formula | C14 H26 Co O18 S2 |
SMILES | c1(cc(ccc1)C(=O)O)S(=O)(=O)[O-].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.c1(cc(ccc1)C(=O)O)S(=O)(=O)[O-].O |
Title of publication | Crystal structures of two new divalent transition-metal salts of carboxybenzenesulfonate anions |
Authors of publication | Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep; Gianopoulos, Christopher G. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2022 |
Journal volume | 78 |
Journal issue | 9 |
Pages of publication | 961 - 965 |
a | 6.7774 ± 0.0011 Å |
b | 6.9866 ± 0.0011 Å |
c | 13.721 ± 0.002 Å |
α | 91.107 ± 0.002° |
β | 90.401 ± 0.002° |
γ | 117.583 ± 0.0019° |
Cell volume | 575.66 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0286 |
Residual factor for significantly intense reflections | 0.0239 |
Weighted residual factors for significantly intense reflections | 0.0595 |
Weighted residual factors for all reflections included in the refinement | 0.0619 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
277534 (current) | 2022-09-01 | cif/ hkl/ Adding structures of 2244155, 2244156 via cif-deposit CGI script. |
2244156.cif 2244156.hkl |
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Users of the data should acknowledge the original authors of the
structural data.