Information card for entry 1563399

Structure parameters

• Formula: C20 H20 Cu4 I4 N12
• Calculated formula: C20 H20 Cu4 I4 N12
• Title of publication: Synthesis and structural characterization of different topological coordination polymers based on tunable Cu4Br4−mIm secondary building units and macrocyclic azacalixaromatics
• Authors of publication: Wang, Li-Xia; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 12
• Pages of publication: 3010 - 3016
• a: 12.669 ± 0.0018 Å
• b: 12.669 ± 0.0018 Å
• c: 11.982 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1923.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No