Information card for entry 4347076

Structure parameters

• Formula: C16 H32 Cu14 I12 N21
• Calculated formula: C16 H32 Cu14 I12 N21
• Title of publication: Interpenetrated Three-Dimensional Copper-Iodine Cluster-Based Framework with Enantiopure Porphyrin-like Templates.
• Authors of publication: Liu, Juan; Wang, Fei; Liu, Li-Yang; Zhang, Jian
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1358 - 1360
• a: 14.8451 ± 0.0002 Å
• b: 14.8451 ± 0.0002 Å
• c: 12.2127 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2691.4 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No