Information card for entry 4516380

Structure parameters

• Formula: C46 H56 Cu8 I4 N10 O23
• Calculated formula: C40 H12 Cu8 I4 N8 O20
• Title of publication: Three Metal‒Organic Frameworks Based on Binodal Inorganic Building Units and Hetero-O, N Donor Ligand: Solvothermal Syntheses, Structures, and Gas Sorption Properties
• Authors of publication: Luo, Xiaolong; Sun, Libo; Zhao, Jun; Li, Dong-Sheng; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 4901
• a: 19.209 ± 0.003 Å
• b: 19.209 ± 0.003 Å
• c: 10.991 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4055.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No