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Information card for entry 7223928
Preview
| Coordinates | 7223928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H18 N2 O8 P2 |
|---|---|
| Calculated formula | C4 H18 N2 O8 P2 |
| Title of publication | Hydrous salts of 1-aminoethylidenediphosphonic acid and piperazidine: temperature induced reversible structural transformation in humid environment |
| Authors of publication | Yuan, Liangjie; Tian, Di; Chen, Shuo-ping; Li, Lang |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 5.7389 ± 0.0014 Å |
| b | 9.985 ± 0.002 Å |
| c | 11.457 ± 0.003 Å |
| α | 115.505 ± 0.004° |
| β | 94.461 ± 0.004° |
| γ | 92.251 ± 0.004° |
| Cell volume | 588.8 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174566 (current) | 2016-01-19 | cif/ Adding structures of 7223927, 7223928 via cif-deposit CGI script. |
7223928.cif |
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Users of the data should acknowledge the original authors of the
structural data.