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Information card for entry 7011200
Preview
Coordinates | 7011200.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Ca Na4 O18 P6 |
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Calculated formula | Ca Na4 O18 P6 |
SMILES | [O-]P1(=O)OP(=O)(OP(=O)(O1)[O-])[O-].[Ca+2].[Na+].[Na+].[Na+].O=P1([O-])OP(=O)(OP(=O)(O1)[O-])[O-].[Na+] |
Title of publication | Structure of calcium tetrasodium bis-cyclotriphosphate CaNa4(P3O9)2 by X-ray diffraction and solid-state NMR |
Authors of publication | Abrahams, Isaac; Hawkes, Geoffery E.; Ahmed, A.; Franks, Katrin; Knowles, Jonathan C.; Bodart, Philippe R.; Nunes, Teresa |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 8 |
Pages of publication | 1800 |
a | 13.069 ± 0.002 Å |
b | 8.054 ± 0.002 Å |
c | 14.164 ± 0.003 Å |
α | 90° |
β | 94.6 ± 0.02° |
γ | 90° |
Cell volume | 1486.1 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0631 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1265 |
Weighted residual factors for all reflections included in the refinement | 0.134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7011200.html
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