Information card for entry 7062774

Structure parameters

• Formula: C7 H6 Cu I N4
• Calculated formula: C7 H6 Cu I N4
• Title of publication: Copper(i) iodide coordination polymers with triazole substituted pyridine ligands: photophysical and electrical conductivity properties
• Authors of publication: Mishra, Shivendu; Pandey, Dilip; Mishra, Kulbhushan; Viau, Lydie; Raghuvanshi, Abhinav
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 42
• Pages of publication: 19751 - 19759
• a: 4.3131 ± 0.0001 Å
• b: 16.4341 ± 0.0006 Å
• c: 12.8515 ± 0.0004 Å
• α: 90°
• β: 97.98 ± 0.003°
• γ: 90°
• Cell volume: 902.12 ± 0.05 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No