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Information card for entry 7246438
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| Coordinates | 7246438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cl Ga Na2 S2 |
|---|---|
| Calculated formula | Cl Ga Na2 S2 |
| Title of publication | Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family |
| Authors of publication | Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 15 |
| Pages of publication | 2307 - 2312 |
| a | 7.2885 ± 0.0002 Å |
| b | 39.4434 ± 0.001 Å |
| c | 7.2884 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2095.29 ± 0.1 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0178 |
| Residual factor for significantly intense reflections | 0.0134 |
| Weighted residual factors for significantly intense reflections | 0.0295 |
| Weighted residual factors for all reflections included in the refinement | 0.032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283213 (current) | 2023-05-05 | cif/ Updating files of 7246434, 7246435, 7246436, 7246437, 7246438, 7246439 Original log message: Adding full bibliography for 7246434--7246439.cif. |
7246438.cif |
| 281895 | 2023-03-16 | cif/ Adding structures of 7246434, 7246435, 7246436, 7246437, 7246438, 7246439 via cif-deposit CGI script. |
7246438.cif |
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Users of the data should acknowledge the original authors of the
structural data.