Information card for entry 2227819

Structure parameters

• Chemical name: 6,6'-Dimethyl-2,2'-[oxalylbis(azanediyl)]dipyridinium dichloride acetonitrile solvate
• Formula: C16 H19 Cl2 N5 O2
• Calculated formula: C16 H19 Cl2 N5 O2
• Title of publication: 6,6'-Dimethyl-2,2'-[oxalylbis(azanediyl)]dipyridinium dichloride acetonitrile solvate
• Authors of publication: Hu, Hui-Ling; Cheng, Pei-Chi; Wu, Chia-Jun; Chen, Jhy-Der
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2386
• a: 10.674 ± 0.0019 Å
• b: 8.7637 ± 0.0005 Å
• c: 10.37 ± 0.003 Å
• α: 90°
• β: 109.83 ± 0.02°
• γ: 90°
• Cell volume: 912.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes