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Information card for entry 1567009
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| Coordinates | 1567009.cif |
|---|---|
| Structure factors | 1567009.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide |
|---|---|
| Formula | C21 H18 Br2 N4 |
| Calculated formula | C21 H18 Br2 N4 |
| Title of publication | 1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide |
| Authors of publication | Schuster, Sara A.; Nesterov, Volodymyr V.; Smucker, Bradley W. |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | x220526 |
| a | 18.0776 ± 0.0002 Å |
| b | 48.2301 ± 0.0005 Å |
| c | 4.5424 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3960.45 ± 0.18 Å3 |
| Cell temperature | 219.9 ± 0.4 K |
| Ambient diffraction temperature | 219.9 ± 0.4 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0224 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0533 |
| Weighted residual factors for all reflections included in the refinement | 0.0533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275595 (current) | 2022-05-21 | cif/ hkl/ Adding structures of 1567009 via cif-deposit CGI script. |
1567009.cif 1567009.hkl |
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Users of the data should acknowledge the original authors of the
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