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Information card for entry 1551061
Preview
Coordinates | 1551061.cif |
---|---|
Structure factors | 1551061.hkl |
Original IUCr paper | HTML |
Chemical name | Ethylammonium hydrogen oxalate‒oxalic acid (2/1) |
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Formula | C10 H20 N2 O12 |
Calculated formula | C10 H20 N2 O12 |
SMILES | [NH3+]CC.C(=O)(C(=O)[O-])O.C(=O)(C(=O)O)O.[NH3+]CC.C(=O)(C(=O)[O-])O |
Title of publication | Ethylammonium hydrogen oxalate‒oxalic acid (2/1) |
Authors of publication | Toure, Assane; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène |
Journal of publication | IUCrData |
Year of publication | 2019 |
Journal volume | 4 |
Journal issue | 5 |
Pages of publication | x190635 |
a | 21.1667 ± 0.0008 Å |
b | 6.6243 ± 0.0003 Å |
c | 11.3247 ± 0.0004 Å |
α | 90° |
β | 91.509 ± 0.002° |
γ | 90° |
Cell volume | 1587.34 ± 0.11 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
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 | 0.0333 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.0747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
215178 (current) | 2019-05-15 | cif/ hkl/ Adding structures of 1551061 via cif-deposit CGI script. |
1551061.cif 1551061.hkl |
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Users of the data should acknowledge the original authors of the
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