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Information card for entry 7228827
Preview
| Coordinates | 7228827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H31 N O8 P2 |
|---|---|
| Calculated formula | C12 H31 N O8 P2 |
| SMILES | P(=O)(OC(C)C)([O-])O.P(=O)(OC(C)C)(O)O.[NH3+]C1CCCCC1 |
| Title of publication | Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates |
| Authors of publication | Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 13.596 ± 0.007 Å |
| b | 10.066 ± 0.005 Å |
| c | 15.921 ± 0.009 Å |
| α | 90° |
| β | 111.966 ± 0.009° |
| γ | 90° |
| Cell volume | 2020.7 ± 1.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1504 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199448 (current) | 2017-08-02 | cif/ Adding structures of 7228822, 7228823, 7228824, 7228825, 7228826, 7228827 via cif-deposit CGI script. |
7228827.cif |
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Users of the data should acknowledge the original authors of the
structural data.