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Information card for entry 7239303
Preview
| Coordinates | 7239303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H32 Ca N2 O14 P2 |
|---|---|
| Calculated formula | C26 H32 Ca N2 O14 P2 |
| Title of publication | Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions |
| Authors of publication | Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 45 |
| Pages of publication | 23119 |
| a | 4.9848 ± 0.001 Å |
| b | 6.5942 ± 0.0013 Å |
| c | 22.857 ± 0.005 Å |
| α | 85.39 ± 0.01° |
| β | 84.54 ± 0.01° |
| γ | 85.06 ± 0.02° |
| Cell volume | 743.2 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1539 |
| Residual factor for significantly intense reflections | 0.0795 |
| Weighted residual factors for significantly intense reflections | 0.1531 |
| Weighted residual factors for all reflections included in the refinement | 0.1689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239303.cif |
| 244643 | 2019-11-28 | cif/ Adding structures of 7239300, 7239301, 7239302, 7239303, 7239304, 7239305 via cif-deposit CGI script. |
7239303.cif |
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Users of the data should acknowledge the original authors of the
structural data.