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Information card for entry 1556836
Preview
| Coordinates | 1556836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C0.58 Na0.02 O4.53 Si2.27 |
|---|---|
| Calculated formula | C0.766667 O4.53333 Si2.26667 |
| Title of publication | The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. |
| Authors of publication | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald |
| Journal of publication | IUCrJ |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | Pt 5 |
| Pages of publication | 595 - 607 |
| a | 23.7844 ± 0.0003 Å |
| b | 13.732 ± 0.005 Å |
| c | 23.784 ± 0.003 Å |
| α | 90° |
| β | 109.47° |
| γ | 90 ± 0.03° |
| Cell volume | 7324 ± 3 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | A 1 2/n 1 |
| Hall space group symbol | -A 2yab |
| Residual factor for all reflections | 0.2156 |
| Residual factor for significantly intense reflections | 0.1014 |
| Weighted residual factors for significantly intense reflections | 0.2597 |
| Weighted residual factors for all reflections included in the refinement | 0.2801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246062 (current) | 2019-12-26 | cif/ Adding structures of 1556834, 1556835, 1556836, 1556837, 1556838, 1556839, 1556840, 1556841, 1556842, 1556843 via cif-deposit CGI script. |
1556836.cif |
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Users of the data should acknowledge the original authors of the
structural data.