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Information card for entry 7236868
Preview
| Coordinates | 7236868.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 Ca Na2 O6 |
|---|---|
| Calculated formula | C2 Ca Na2 O6 |
| SMILES | C([O-])(=O)[O-].[Na+].[Ca+2].[Na+].[O-]C(=O)[O-] |
| Title of publication | Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system |
| Authors of publication | Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 34 |
| Pages of publication | 8758 |
| a | 10.0411 ± 0.001 Å |
| b | 8.7472 ± 0.0008 Å |
| c | 12.2267 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1073.89 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0791 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1569 |
| Weighted residual factors for all reflections included in the refinement | 0.1774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236587 (current) | 2019-11-24 | cif/ Adding structures of 7236866, 7236867, 7236868 via cif-deposit CGI script. |
7236868.cif |
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Users of the data should acknowledge the original authors of the
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