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Information card for entry 7224727
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Coordinates | 7224727.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bipyridine hydrobromide |
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Chemical name | bipyridine hydrobromide |
Formula | C10 H10 Br2 N2 |
Calculated formula | C10 H10 Br2 N2 |
SMILES | c1cc(cc[nH+]1)c1cc[nH+]cc1.[Br-].[Br-] |
Title of publication | Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide |
Authors of publication | Anioła, Michalina; Katrusiak, Andrzej |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 18 |
Pages of publication | 3223 |
a | 4.874 ± 0.004 Å |
b | 7.567 ± 0.006 Å |
c | 7.936 ± 0.004 Å |
α | 70.73 ± 0.06° |
β | 86.64 ± 0.05° |
γ | 77.47 ± 0.07° |
Cell volume | 269.7 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Cell measurement pressure | 20000 kPa |
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 | 0.0535 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1178 |
Weighted residual factors for all reflections included in the refinement | 0.1238 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7224727.html
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