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Information card for entry 7239301
Preview
| Coordinates | 7239301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 Ca O13 P2 |
|---|---|
| Calculated formula | C16 H22 Ca O13 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 | 16.6389 ± 0.0022 Å |
| b | 7.1141 ± 0.0012 Å |
| c | 9.104 ± 0.0017 Å |
| α | 90° |
| β | 95.46 ± 0.01° |
| γ | 90° |
| Cell volume | 1072.8 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0961 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections included in the refinement | 0.0689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244643 (current) | 2019-11-28 | cif/ Adding structures of 7239300, 7239301, 7239302, 7239303, 7239304, 7239305 via cif-deposit CGI script. |
7239301.cif |
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Users of the data should acknowledge the original authors of the
structural data.