Information card for entry 7219269

Structure parameters

• Formula: C26.83 H27.49 N2 O12.11
• Calculated formula: C26.831 H27.493 N2 O12.114
• Title of publication: Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis
• Authors of publication: Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1421
• a: 10.122 ± 0.002 Å
• b: 10.636 ± 0.002 Å
• c: 14.713 ± 0.003 Å
• α: 94.212 ± 0.011°
• β: 105.65 ± 0.011°
• γ: 104.86 ± 0.011°
• Cell volume: 1456.8 ± 0.5 ų
• Cell temperature: 569 ± 2 K
• Ambient diffraction temperature: 569 ± 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: 0.1109
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.681
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No