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Information card for entry 2017938
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2017938.cif |
---|---|
Structure factors | 2017938.hkl |
Original IUCr paper | HTML |
Chemical name | Hexaaquacobalt(II) bis[hydrogen bis(4-carboxyphenylphosphonate)] dihydrate |
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Formula | C28 H42 Co O28 P4 |
Calculated formula | C28 H42 Co O28 P4 |
SMILES | c1(ccc(cc1)C(=O)O)P(=O)([O-])O.c1(ccc(cc1)C(=O)O)P(=O)(O)O.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.c1(ccc(cc1)C(=O)O)P(=O)([O-])O.c1(ccc(cc1)C(=O)O)P(=O)(O)O.O |
Title of publication | Hexaaquacobalt(II) bis[hydrogen bis(4-carboxyphenylphosphonate)] dihydrate |
Authors of publication | Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 1 |
Pages of publication | m9 - m12 |
a | 21.053 ± 0.004 Å |
b | 7.203 ± 0.0014 Å |
c | 13.37 ± 0.003 Å |
α | 90° |
β | 92 ± 0.01° |
γ | 90° |
Cell volume | 2026.3 ± 0.7 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0819 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0623 |
Weighted residual factors for all reflections included in the refinement | 0.0729 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/2017938.html
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