Information card for entry 7059796

Structure parameters

• Formula: C6 H8 Cu I N2
• Calculated formula: C6 H8 Cu I N2
• Title of publication: Synthesis, structure and photoluminescence properties of three copper(i) iodide based inorganic‒organic hybrid structures with pyrazine derivatives
• Authors of publication: Xu, Chanchan; Lv, Le; Luo, Dawei; Liu, Wei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14103 - 14107
• a: 7.749 ± 0.0006 Å
• b: 7.7769 ± 0.0005 Å
• c: 8.1453 ± 0.0005 Å
• α: 72.597 ± 0.002°
• β: 66.733 ± 0.002°
• γ: 70.721 ± 0.002°
• Cell volume: 417.52 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No