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Information card for entry 1550828
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Coordinates | 1550828.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Stepanovite, hexagonal polzmorph |
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Chemical name | sodium magnesium iron(III) oxalate nonahydrate |
Formula | C6 H18 Fe Mg Na O21 |
Calculated formula | C6 H18 Fe Mg Na O21 |
SMILES | C1(=O)C(=O)O[Fe]23(O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Na+].O.O.O |
Title of publication | Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism |
Authors of publication | Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 16.9954 ± 0.0012 Å |
b | 16.9954 ± 0.0012 Å |
c | 12.3838 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3097.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 297 K |
Ambient diffracton pressure | 101325 kPa |
Number of distinct elements | 6 |
Space group number | 158 |
Hermann-Mauguin space group symbol | P 3 c 1 |
Hall space group symbol | P 3 -2"c |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation probe | x-ray |
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/1550828.html
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Users of the data should acknowledge the original authors of the
structural data.