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Information card for entry 7203682
Preview
| Coordinates | 7203682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Copper di(4-methylene-hydrogenphosphono-benzoic acid)-di-hydrate |
|---|---|
| Formula | C16 H20 Cu O12 P2 |
| Calculated formula | C16 H20 Cu O12 P2 |
| Title of publication | High-throughput investigation of metal carboxyarylphosphonate hybrid compounds |
| Authors of publication | Stock, Norbert; Bein, Thomas |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2005 |
| Journal volume | 15 |
| Journal issue | 13 |
| Pages of publication | 1384 |
| a | 4.5914 ± 0.0006 Å |
| b | 5.981 ± 0.0008 Å |
| c | 17.811 ± 0.003 Å |
| α | 81.513 ± 0.016° |
| β | 86.272 ± 0.016° |
| γ | 82.251 ± 0.015° |
| Cell volume | 478.83 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0904 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.809 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180367 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/36. |
7203682.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203682.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203682.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203682.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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Users of the data should acknowledge the original authors of the
structural data.