Information card for entry 2227805

Structure parameters

• Chemical name: 2,2'-Biimidazolium 5-amino-2,4,6-tribromoisophthalate
• Formula: C14 H10 Br3 N5 O4
• Calculated formula: C14 H10 Br3 N5 O4
• SMILES: Brc1c(C(=O)[O-])c(Br)c(N)c(Br)c1C(=O)[O-].[nH]1cc[nH+]c1c1[nH]cc[nH+]1
• Title of publication: 2,2'-Biimidazolium 5-amino-2,4,6-tribromoisophthalate
• Authors of publication: Zhang, Kou-Lin; Huang, Han; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2919
• a: 9.0525 ± 0.001 Å
• b: 9.2043 ± 0.001 Å
• c: 11.5252 ± 0.0012 Å
• α: 90.262 ± 0.001°
• β: 108.332 ± 0.001°
• γ: 93.136 ± 0.001°
• Cell volume: 909.96 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes