Information card for entry 2229034

Structure parameters

• Chemical name: 2,2'-(<i>p</i>-Phenylene)bis(4,5-dihydro-1<i>H</i>-imidazol-3-ium) bis(3-nitrobenzoate)
• Formula: C26 H24 N6 O8
• Calculated formula: C26 H24 N6 O8
• SMILES: C1CNC(=[NH+]1)c1ccc(C2=[NH+]CCN2)cc1.C(=O)(c1cccc(N(=O)=O)c1)[O-].C(=O)(c1cccc(N(=O)=O)c1)[O-]
• Title of publication: 2,2'-(<i>p</i>-Phenylene)bis(4,5-dihydro-1<i>H</i>-imidazol-3-ium) bis(3-nitrobenzoate)
• Authors of publication: Song, Xiu-Mei; Li, Jun-Jun; Liu, Xin-Hua; Ren, Chun-Xia; Shang, Shao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o263
• a: 6.9882 ± 0.0012 Å
• b: 7.4165 ± 0.0012 Å
• c: 13.233 ± 0.002 Å
• α: 81.343 ± 0.003°
• β: 82.443 ± 0.003°
• γ: 62.699 ± 0.002°
• Cell volume: 600.97 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0839
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.151
• 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