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Information card for entry 7061268
Preview
| Coordinates | 7061268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cu H2 O5 S |
|---|---|
| Calculated formula | Cu H2 O5 S |
| Title of publication | The copper sulfate hydration cycle. Crystal structures of CuSO4 (Chalcocyanite), CuSO4·H2O (Poitevinite), CuSO4·3H2O (Bonattite) and CuSO4·5H2O (Chalcanthite) at low temperature using non-spherical atomic scattering factors |
| Authors of publication | Ibrahim, Mukaila A.; Boeré, René T. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 12 |
| Pages of publication | 5479 - 5488 |
| a | 5.0281 ± 0.0005 Å |
| b | 5.1502 ± 0.0005 Å |
| c | 7.5607 ± 0.0009 Å |
| α | 108.592 ± 0.012° |
| β | 108.382 ± 0.012° |
| γ | 91.359 ± 0.01° |
| Cell volume | 174.41 ± 0.04 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0753 |
| Weighted residual factors for significantly intense reflections | 0.2174 |
| Weighted residual factors for all reflections included in the refinement | 0.2178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0366 |
| 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 |
|---|---|---|---|
| 275047 (current) | 2022-05-05 | cif/ Updating files of 7061267, 7061268, 7061269, 7061270 Original log message: Adding full bibliography for 7061267--7061270.cif. |
7061268.cif |
| 272439 | 2022-02-03 | cif/ Adding structures of 7061267, 7061268, 7061269, 7061270 via cif-deposit CGI script. |
7061268.cif |
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Users of the data should acknowledge the original authors of the
structural data.