Information card for entry 2225912

Structure parameters

• Chemical name: 1,1'-Methylenedipyridinium dichloride monohydrate
• Formula: C11 H14 Cl2 N2 O
• Calculated formula: C11 H14 Cl2 N2 O
• Title of publication: 1,1'-Methylenedipyridinium dichloride monohydrate
• Authors of publication: Fu, Wen-Zhen; Wang, Wei-Juan; Niu, Yun-Yin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1211
• a: 16.3384 ± 0.0015 Å
• b: 19.0958 ± 0.0018 Å
• c: 7.7916 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2430.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes