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Information card for entry 1568588
Preview
| Coordinates | 1568588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cl2 Cu H4 O2 |
|---|---|
| Calculated formula | Cl2 Cu H4 O2 |
| Title of publication | Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors |
| Authors of publication | Boeré, René T. |
| Journal of publication | Crystals |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 2 |
| Pages of publication | 293 |
| a | 8.0405 ± 0.0004 Å |
| b | 3.7238 ± 0.0002 Å |
| c | 7.3585 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 220.32 ± 0.02 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 53 |
| Hermann-Mauguin space group symbol | P m n a |
| Hall space group symbol | -P 2ac 2 |
| Residual factor for all reflections | 0.0133 |
| Residual factor for significantly intense reflections | 0.0133 |
| Weighted residual factors for significantly intense reflections | 0.0329 |
| Weighted residual factors for all reflections included in the refinement | 0.0329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0526 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281627 (current) | 2023-03-05 | cif/ Adding structures of 1568587, 1568588, 1568589, 1568590 via cif-deposit CGI script. |
1568588.cif |
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Users of the data should acknowledge the original authors of the
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