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Information card for entry 2300676
Preview
Coordinates | 2300676.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Magnesium bis(hydrogen maleate) hexahydrate |
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Formula | C8 H18 Mg O14 |
Calculated formula | C8 H18 Mg O14 |
SMILES | [O-]C(=O)/C=C\C(=O)O.[O-]C(=O)/C=C\C(=O)O.[OH2][Mg]([OH2])([OH2])([OH2])([OH2])[OH2] |
Title of publication | The advanced treatment of hydrogen bonding in quantum crystallography |
Authors of publication | Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon |
Journal of publication | Journal of Applied Crystallography |
Year of publication | 2021 |
Journal volume | 54 |
Journal issue | 3 |
a | 10.195 ± 0.002 Å |
b | 11.759 ± 0.002 Å |
c | 6.6206 ± 0.0013 Å |
α | 90° |
β | 103.67 ± 0.03° |
γ | 90° |
Cell volume | 771.2 ± 0.3 Å3 |
Cell temperature | 14.9 ± 0.2 K |
Ambient diffraction temperature | 14.9 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0158 |
Residual factor for significantly intense reflections | 0.0158 |
Weighted residual factors for all reflections | 0.016 |
Weighted residual factors for significantly intense reflections | 0.016 |
Goodness-of-fit parameter for all reflections | 2.9139 |
Goodness-of-fit parameter for significantly intense reflections | 2.9139 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.3532 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2300676.html
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