Information card for entry 7200723

Structure parameters

• Formula: C20 H24 Cl2 N4
• Calculated formula: C20 H24 Cl2 N4
• SMILES: c12ccccc1NC(CCCCCCc1[nH]c3ccccc3[nH+]1)N2.[Cl-].[Cl-]
• Title of publication: Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts
• Authors of publication: Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1416
• a: 6.9279 ± 0.0004 Å
• b: 17.4853 ± 0.0012 Å
• c: 16.1931 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1961.6 ± 0.2 ų
• Cell temperature: 200 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No