Information card for entry 7044540

Structure parameters

• Formula: C13 H9 N2 O5 Zn
• Calculated formula: C13 H9 N2 O5 Zn
• Title of publication: Two metal‒organic frameworks based on a flexible benzimidazole carboxylic acid ligand: selective gas sorption and luminescence
• Authors of publication: Zhang, Fang; Hou, Lei; Zhang, Wenyan; Yan, Yangtian; Wu, Yunlong; Yang, Ruifeng; Cao, Feng; Wang, Yao-Yu
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.148 ± 0.007 Å
• b: 9.069 ± 0.005 Å
• c: 18.047 ± 0.01 Å
• α: 90°
• β: 103.517 ± 0.01°
• γ: 90°
• Cell volume: 1933.2 ± 1.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.2619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No