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Information card for entry 8107438
Preview
| Coordinates | 8107438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H46 Br2 N2 O8 |
|---|---|
| Calculated formula | C42 H46 Br2 N2 O8 |
| Title of publication | Crystal structure of bis(6-carboxyhexyl)-4,4′-bipyridinium dibromide – 2,6-dihydroxynaphthalene (1/2), C42H46Br2N2O8 |
| Authors of publication | Yu, Xuewen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 353 - 354 |
| a | 7.5393 ± 0.0009 Å |
| b | 10.7586 ± 0.0012 Å |
| c | 24.073 ± 0.003 Å |
| α | 90° |
| β | 91.275 ± 0.003° |
| γ | 90° |
| Cell volume | 1952.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285035 (current) | 2023-07-06 | cif/ Adding structures of 8107438 via cif-deposit CGI script. |
8107438.cif |
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Users of the data should acknowledge the original authors of the
structural data.