Information card for entry 4516381

Structure parameters

• Formula: C39 H21 Cu7 I4 N3 O18
• Calculated formula: C39 H21 Cu7 I4 N3 O17.65
• 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: 28.1563 ± 0.0007 Å
• b: 28.1563 ± 0.0007 Å
• c: 19.1585 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13153.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No