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Information card for entry 8106811
Preview
| Coordinates | 8106811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H18 N2 O8 |
|---|---|
| Calculated formula | C26 H18 N2 O8 |
| Title of publication | Crystal structure of 4,4′-bipyridin-1-ium 3,3′,5′-tricarboxy-[1,1′-biphenyl]-2-carboxylate, (C26H18N2O8) |
| Authors of publication | Yao, Li-Ping; Zhao, Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 153 - 155 |
| a | 10.101 ± 0.005 Å |
| b | 10.589 ± 0.006 Å |
| c | 10.705 ± 0.006 Å |
| α | 93.183 ± 0.008° |
| β | 108.614 ± 0.008° |
| γ | 97.323 ± 0.008° |
| Cell volume | 1070.6 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0464 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281242 (current) | 2023-03-02 | cif/ Adding structures of 8106811 via cif-deposit CGI script. |
8106811.cif |
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Users of the data should acknowledge the original authors of the
structural data.