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Information card for entry 1549872
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| Coordinates | 1549872.cif |
|---|---|
| Structure factors | 1549872.hkl |
| Original IUCr paper | HTML |
| Common name | 2,2'-Bipyridinium oxalate monohydrate |
|---|---|
| Chemical name | 2,2'-Bipyridin-1-ium hemioxalate oxalic acid monohydrate |
| Formula | C13 H13 N2 O7 |
| Calculated formula | C13 H13 N2 O7 |
| Title of publication | 2,2'-Bipyridin-1-ium hemioxalate oxalic acid monohydrate |
| Authors of publication | Dziuk, Błażej; Jezuita, Anna |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 8 |
| Pages of publication | x181219 |
| a | 7.2618 ± 0.0004 Å |
| b | 8.9419 ± 0.0006 Å |
| c | 11.0001 ± 0.0007 Å |
| α | 85.545 ± 0.005° |
| β | 86.177 ± 0.005° |
| γ | 75.248 ± 0.005° |
| Cell volume | 687.84 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210295 (current) | 2018-09-01 | cif/ hkl/ Adding structures of 1549872 via cif-deposit CGI script. |
1549872.cif 1549872.hkl |
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Users of the data should acknowledge the original authors of the
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