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Information card for entry 8106737
Preview
| Coordinates | 8106737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H42 Ca N2 O22 |
|---|---|
| Calculated formula | C48 H42 Ca N2 O22 |
| Title of publication | Crystal structure of 4,4′-(1,4-phenylene)bis(pyridin-1-ium) catena-poly[diaqua-bis(μ2-3′,5′-dicarboxy-[1,1′-biphenyl]-2,5-dicarboxylato-κ2 O:O′] dihydrate, C48H42O22N2Ca |
| Authors of publication | Li, Dong-Mi; Li, Shi-Hui |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 971 - 973 |
| a | 7.2548 ± 0.0002 Å |
| b | 11.7056 ± 0.0004 Å |
| c | 14.6024 ± 0.0004 Å |
| α | 72.687 ± 0.003° |
| β | 82.667 ± 0.002° |
| γ | 73.303 ± 0.003° |
| Cell volume | 1132.76 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280840 (current) | 2023-02-09 | cif/ Adding structures of 8106737 via cif-deposit CGI script. |
8106737.cif |
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Users of the data should acknowledge the original authors of the
structural data.