Information card for entry 4500257

Structure parameters

• Formula: C20 H36 Cu8 I6 N8
• Calculated formula: C20.06 Cu8 I6 N8
• Title of publication: CuI Cluster-Based Organic Frameworks with Unusual 4- and 5-Connected Topologies
• Authors of publication: Zhang, Ying; He, Xinwei; Zhang, Jian; Feng, Pingyun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 29
• a: 15.2229 ± 0.0001 Å
• b: 15.2229 ± 0.0001 Å
• c: 6.8862 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1381.99 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No