Information card for entry 7202796

Structure parameters

• Formula: C14 H18 Cl2 N2
• Calculated formula: C14 H18 Cl2 N2
• SMILES: [Cl-].[Cl-].[NH3+]c1c(cc(cc1)c1cc(c([NH3+])cc1)C)C
• Title of publication: Structural consequences of benzidine dihydrochloride substitution in the solid state
• Authors of publication: Dobrzycki, Lukasz; Woźniak, Krzysztof
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1029
• a: 8.1288 ± 0.0006 Å
• b: 8.0393 ± 0.0005 Å
• c: 45.532 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2975.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No