Information card for entry 8102880

Structure parameters

• Chemical name: 2,2'-(1,2-ethanediyl)bis(1H-benzimidazole) benzene-1,3,5-tricarboxylic acid, C~34~H~26~N~4~O~12~
• Formula: C17 H13 N2 O6
• Calculated formula: C17 H13 N2 O6
• Title of publication: Crystal structure of 2,2'-(1,2-ethanediyl)bis(1H-benzimidazolium) bis(dihydrogen benzene-1,3,5-tricarboxylate), [C16H16N4][C9H5O6]2
• Authors of publication: Luan Jiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 799
• a: 6.8562 ± 0.0014 Å
• b: 8.4757 ± 0.0017 Å
• c: 13.062 ± 0.003 Å
• α: 88.845 ± 0.002°
• β: 83.489 ± 0.002°
• γ: 75.277 ± 0.002°
• Cell volume: 729.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No