Information card for entry 4350157

Structure parameters

• Formula: C60 H44 Cu6 I6 N12
• Calculated formula: C60 H44 Cu6 I6 N12
• Title of publication: Control of copper(I) iodide architectures by ligand design: angular versus linear bridging ligands.
• Authors of publication: Thébault, Frédéric; Barnett, Sarah A.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.; Schröder, Martin
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6179 - 6187
• a: 13.624 ± 0.002 Å
• b: 16.235 ± 0.003 Å
• c: 30.292 ± 0.005 Å
• α: 90°
• β: 100.617 ± 0.002°
• γ: 90°
• Cell volume: 6585.5 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.247
• Weighted residual factors for all reflections included in the refinement: 0.264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No