Information card for entry 7044539

Structure parameters

• Formula: C31 H27 Cd2 N5 O11
• Calculated formula: C31 H27 Cd2 N5 O11
• 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: 9.791 ± 0.0011 Å
• b: 11.6457 ± 0.0014 Å
• c: 15.986 ± 0.0018 Å
• α: 70.372 ± 0.002°
• β: 83.572 ± 0.002°
• γ: 89.257 ± 0.002°
• Cell volume: 1705.5 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0816
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No