Information card for entry 4312256

Structure parameters

• Formula: C20 H25.5 Cl1.5 Cu2 I3.38 N4 O13.5
• Calculated formula: C20 H16 Cl1.5 Cu2 I3.375 N4 O13.5
• Title of publication: A New Inorganic-Organic Hybrid Copper Iodate with Potentially Large Void Volume
• Authors of publication: Guanghua Li; Zhan Shi; Xiaomin Liu; Zhimin Dai; Lu Gao; Shouhua Feng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8224 - 8226
• a: 29.6755 ± 0.0004 Å
• b: 29.6755 ± 0.0004 Å
• c: 6.9857 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6151.85 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 108
• Hermann-Mauguin space group symbol: I 4 c m
• Hall space group symbol: I 4 -2c
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No