Information card for entry 4350160

Structure parameters

• Formula: C18 H18 N6 O2
• Calculated formula: C18 H17 N6 O2
• 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: 38.565 ± 0.008 Å
• b: 3.714 ± 0.0007 Å
• c: 29.75 ± 0.006 Å
• α: 90°
• β: 126.78 ± 0.03°
• γ: 90°
• Cell volume: 3412.9 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No