Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239305
Preview
| Coordinates | 7239305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H13 N O5 P |
|---|---|
| Calculated formula | C13 H13 N O5 P |
| 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 | 22.995 ± 0.005 Å |
| b | 11.763 ± 0.002 Å |
| c | 9.298 ± 0.0019 Å |
| α | 90° |
| β | 96.14 ± 0.01° |
| γ | 90° |
| Cell volume | 2500.6 ± 0.9 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| 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. |
7239305.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.