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Information card for entry 1567010
Preview
| Coordinates | 1567010.cif |
|---|---|
| Structure factors | 1567010.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate |
|---|---|
| Formula | C25 H26 Br2 N4 O2 |
| Calculated formula | C25 H26 Br2 N4 O2 |
| Title of publication | 1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate |
| Authors of publication | Neal, Henry C.; Nesterov, Volodymyr V.; Smucker, Bradley W. |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | x220525 |
| a | 15.4863 ± 0.0002 Å |
| b | 22.2936 ± 0.0003 Å |
| c | 7.21 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2489.22 ± 0.06 Å3 |
| Cell temperature | 219.9 ± 0.4 K |
| Ambient diffraction temperature | 219.9 ± 0.4 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275596 (current) | 2022-05-21 | cif/ hkl/ Adding structures of 1567010 via cif-deposit CGI script. |
1567010.cif 1567010.hkl |
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Users of the data should acknowledge the original authors of the
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