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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2243452.html
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