Information card for entry 2217976

Structure parameters

• Chemical name: 3,3'-Dibenzyl-2,2'-dimethyl-1,1'-methylenediimidazolium dipicrate
• Formula: C35 H30 N10 O14
• Calculated formula: C35 H30 N10 O14
• SMILES: c1ccccc1Cn1cc[n+](c1C)Cn1cc[n+](c1C)Cc1ccccc1.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
• Title of publication: 3,3'-Dibenzyl-2,2'-dimethyl-1,1'-methylenediimidazolium dipicrate
• Authors of publication: Jin, Chuan-Ming; Wu, Ling-Yan; Lu, Xiao-Xia; Hu, Jing-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o693
• a: 12.2842 ± 0.0008 Å
• b: 12.6802 ± 0.0008 Å
• c: 12.9175 ± 0.0008 Å
• α: 65.691 ± 0.001°
• β: 77.601 ± 0.001°
• γ: 80.003 ± 0.001°
• Cell volume: 1782.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes