Information card for entry 8105414

Structure parameters

• Formula: C25 H17 N2 O8
• Calculated formula: C25 H17 N2 O8
• Title of publication: Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-1-ium 5,3′,5′-tricarboxy-[1,10-biphenyl]-2-carboxylate, C25H17N2O8
• Authors of publication: Chen, Shi-Jun; Tian, Wei; Hui, Yan-Ni; Zhu, Mei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1179 - 1181
• a: 9.6002 ± 0.0005 Å
• b: 10.4192 ± 0.0005 Å
• c: 11.0226 ± 0.0005 Å
• α: 93.412 ± 0.004°
• β: 98.094 ± 0.004°
• γ: 98.787 ± 0.004°
• Cell volume: 1075.05 ± 0.09 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: 0.067
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No