Information card for entry 4350159

Structure parameters

• Formula: C9 H7 Cu3 I3 N3
• Calculated formula: C9 H7 Cu3 I3 N3
• 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: 8.643 ± 0.002 Å
• b: 20.034 ± 0.005 Å
• c: 8.384 ± 0.002 Å
• α: 90°
• β: 99.846 ± 0.004°
• γ: 90°
• Cell volume: 1430.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No