Information card for entry 1567010

Structure parameters

• 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 ų
• 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