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Information card for entry 7228514
Preview
| Coordinates | 7228514.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H14 Be3 N4 O12 P4 |
|---|---|
| Calculated formula | C6 H14 Be3 N4 O12 P4 |
| SMILES | c1[nH]cc[nH+]1.O=P([O-])[O-].[Be+2].[O-]P(=O)[O-].[Be+2].c1[nH]cc[nH+]1.[O-]P(=O)[O-].[Be+2].[O-]P(=O)[O-] |
| Title of publication | Construction of Hydrothermally Stable Beryllium Phosphite Open-Frameworks with High Proton Conductivity |
| Authors of publication | Zhang, Qinghua; Wang, Kangcai; Jin, Yunhe; Jiang, Linhai; Wang, Zhi |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 9.4886 ± 0.0007 Å |
| b | 13.8218 ± 0.001 Å |
| c | 13.2987 ± 0.001 Å |
| α | 90° |
| β | 100.092 ± 0.004° |
| γ | 90° |
| Cell volume | 1717.1 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0465 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197900 (current) | 2017-06-17 | cif/ Adding structures of 7228514, 7228515 via cif-deposit CGI script. |
7228514.cif |
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Users of the data should acknowledge the original authors of the
structural data.