Information card for entry 2211647

Structure parameters

• Chemical name: 1,1'-Methylene-bis(3-methylimidazolium) Dipicrate
• Formula: C21 H18 N10 O14
• Calculated formula: C21 H18 N10 O14
• SMILES: Cn1c[n+](cc1)Cn1c[n+](cc1)C.c1(cc(cc(c1[O-])N(=O)=O)N(=O)=O)N(=O)=O.c1(cc(c([O-])c(c1)N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: 1,1'-Methylenebis(3-methylimidazolium) dipicrate
• Authors of publication: Jin, Chuan-Ming; Wu, Ling-Yan; Han, De-Yan; Hu, Yan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5619 - o5620
• a: 7.8353 ± 0.0007 Å
• b: 12.8777 ± 0.0012 Å
• c: 13.2129 ± 0.0012 Å
• α: 83.522 ± 0.002°
• β: 79.288 ± 0.002°
• γ: 83.049 ± 0.002°
• Cell volume: 1294.7 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes