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Information card for entry 4500441
Preview
Coordinates | 4500441.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H16 Cl2 Mg O8 |
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Calculated formula | C14 H16 Cl2 Mg O8 |
Title of publication | Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates |
Authors of publication | Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 4 |
Pages of publication | 1318 |
a | 39.806 ± 0.0018 Å |
b | 10.387 ± 0.0005 Å |
c | 8.848 ± 0.0004 Å |
α | 90° |
β | 91.039 ± 0.002° |
γ | 90° |
Cell volume | 3657.7 ± 0.3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1489 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.1075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4500441.html
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Users of the data should acknowledge the original authors of the
structural data.