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Information card for entry 7240728
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Coordinates | 7240728.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 |
Title of publication | Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density |
Authors of publication | Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
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 | 0.0159 |
Residual factor for significantly intense reflections | 0.0159 |
Weighted residual factors for all reflections | 0.0168 |
Weighted residual factors for significantly intense reflections | 0.0168 |
Goodness-of-fit parameter for all reflections | 3.0663 |
Goodness-of-fit parameter for significantly intense reflections | 3.0663 |
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/7240728.html
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