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Information card for entry 2243452
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| Coordinates | 2243452.cif |
|---|---|
| Structure factors | 2243452.hkl |
| Original IUCr paper | HTML |
| Common name | Posnjakite |
|---|---|
| Chemical name | Poly[[hexa-μ-hydroxido-tetracopper(II)] sulfate monohydrate] |
| Formula | Cu4 H8 O11 S |
| Calculated formula | Cu4 H8 O11 S |
| Title of publication | Crystal structure of posnjakite formed in the first crystal water-cooling line of the ANSTO Melbourne Australian Synchrotron MX1 Double Crystal Monochromator |
| Authors of publication | Mills, Stuart; Aishima, Jun; Aragao, David; Caradoc-Davies, Tom Tudor; Cowieson, Nathan; Gee, Christine L.; Ericsson, Daniel; Harrop, Stephen; Panjikar, Santosh; Smith, Kate Mary Louise; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Price, Jason Roy |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 7 |
| Pages of publication | 1136 - 1138 |
| a | 7.84 ± 0.0016 Å |
| b | 6.34 ± 0.0013 Å |
| c | 9.768 ± 0.002 Å |
| α | 90° |
| β | 107.32 ± 0.03° |
| γ | 90° |
| Cell volume | 463.51 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71074 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253512 (current) | 2020-06-27 | cif/ hkl/ Adding structures of 2243452 via cif-deposit CGI script. |
2243452.cif 2243452.hkl |
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Users of the data should acknowledge the original authors of the
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