Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4513636
Preview
| Coordinates | 4513636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H36 N3 O19.5 P3 Zn3 |
|---|---|
| Calculated formula | C17 H27 N8 O19.5 P3 Zn3 |
| Title of publication | Two New Zinc Phosphonates with Triazine-Based Phosphonic Acids |
| Authors of publication | Fu, Ruibiao; Hu, Shengmin; Wu, Xintao |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 10 |
| Pages of publication | 5021 |
| a | 10.137 ± 0.006 Å |
| b | 11.802 ± 0.007 Å |
| c | 13.768 ± 0.008 Å |
| α | 86.899 ± 0.012° |
| β | 89.523 ± 0.009° |
| γ | 88.343 ± 0.011° |
| Cell volume | 1644 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.113 |
| Residual factor for significantly intense reflections | 0.0829 |
| Weighted residual factors for significantly intense reflections | 0.2081 |
| Weighted residual factors for all reflections included in the refinement | 0.2276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4513636.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4513636.cif |
| 170045 | 2015-11-06 | cif/ Updating files of 4513636, 4513637 Original log message: Adding full bibliography for 4513636--4513637.cif. |
4513636.cif |
| 158256 | 2015-09-24 | cif/ Adding structures of 4513636, 4513637 via cif-deposit CGI script. |
4513636.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.