Information card for entry 4509678

Structure parameters

• Chemical name: 1,1'-Diphenyl-3,3'-methylenediimidazolium bis(bromide)
• Formula: C19 H20 Br2 N4 O
• Calculated formula: C19 H20 Br2 N4 O
• SMILES: [Br-].[Br-].O.n1(c[n+](cc1)c1ccccc1)Cn1c[n+](cc1)c1ccccc1
• Title of publication: Development ofN,N′-Diaromatic Diimidazolium Cations: Arene Interactions for Highly Organized Crystalline Materials
• Authors of publication: Leclercq, Loïc; Noujeim, Nadim; Schmitzer, Andreea R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4784
• a: 9.8029 ± 0.0003 Å
• b: 12.4532 ± 0.0004 Å
• c: 16.2953 ± 0.0005 Å
• α: 89.42 ± 0.001°
• β: 89.667 ± 0.001°
• γ: 77.057 ± 0.002°
• Cell volume: 1938.64 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No