Information card for entry 2215768

Structure parameters

• Chemical name: 1,1'-Methylenebis(2,3-dimethylimidazolium) dipicrate acetonitrile solvate
• Formula: C25 H25 N11 O14
• Calculated formula: C25 H25 N11 O14
• SMILES: Cn1cc[n+](c1C)Cn1cc[n+](c1C)C.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.N#CC
• Title of publication: 1,1'-Methylenebis(2,3-dimethylimidazolium) dipicrate acetonitrile solvate
• Authors of publication: Li, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4470 - o4470
• a: 6.8715 ± 0.0009 Å
• b: 19.892 ± 0.003 Å
• c: 22.594 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3088.3 ± 0.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes