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Information card for entry 7241394
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| Coordinates | 7241394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Oxalic acid alpha polymorph |
|---|---|
| Formula | C2 H2 O4 |
| Calculated formula | C2 H2 O4 |
| Title of publication | Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid |
| Authors of publication | Bhattacharya, Suman |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 6.5045 ± 0.0006 Å |
| b | 6.064 ± 0.0006 Å |
| c | 7.8072 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 307.94 ± 0.05 Å3 |
| Cell temperature | 192 ± 2 K |
| Ambient diffraction temperature | 192 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258352 (current) | 2020-10-14 | cif/ Adding structures of 7241391, 7241392, 7241393, 7241394, 7241395 via cif-deposit CGI script. |
7241394.cif |
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Users of the data should acknowledge the original authors of the
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