Information card for entry 2205072

Structure parameters

• Chemical name: 8-Hydroxyquinolinium hemi(dibromosuccinate) dibromosuccinic acid
• Formula: C30 H26 Br6 N2 O14
• Calculated formula: C30 H26 Br6 N2 O14
• SMILES: c1[nH+]c2c(cccc2cc1)O.Br[C@H](C(=O)O)[C@@H](Br)C(=O)O.Br[C@H](C(=O)O)[C@@H](Br)C(=O)O.Br[C@H](C(=O)[O-])[C@@H](Br)C(=O)[O-].c1ccc2cccc(c2[nH+]1)O
• Title of publication: 8-Hydroxyquinolinium‒dibromosuccinate‒dibromosuccinic acid (2/1/2)
• Authors of publication: Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o402 - o404
• a: 6.9687 ± 0.0008 Å
• b: 11.4468 ± 0.0012 Å
• c: 12.687 ± 0.0013 Å
• α: 110.396 ± 0.002°
• β: 100.042 ± 0.002°
• γ: 100.915 ± 0.002°
• Cell volume: 899.1 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.093
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes