Information card for entry 1563396

Structure parameters

• Formula: C20 H20 Br3.21 Cu4 I0.8 N12
• Calculated formula: C20 H20 Br3.2 Cu4 I0.82 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: 13.2862 ± 0.0008 Å
• b: 13.2862 ± 0.0008 Å
• c: 10.0523 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1774.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No