Information card for entry 4345711

Structure parameters

• Formula: C4 H4 Cu I N2
• Calculated formula: C4 H4 Cu I N2
• Title of publication: Partial in Situ Reduction of Copper(II) Resulting in One-Pot Formation of 2D Neutral and 3D Cationic Copper(I) Iodide-Pyrazine Coordination Polymers: Structure and Emissive Properties.
• Authors of publication: Malaestean, Iurie L.; Kravtsov, Victor Ch; Lipkowski, Janusz; Cariati, Elena; Righetto, Stefania; Marinotto, Daniele; Forni, Alessandra; Fonari, Marina S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• a: 4.2472 ± 0.0014 Å
• b: 6.89 ± 0.004 Å
• c: 11.065 ± 0.004 Å
• α: 90°
• β: 98.104 ± 0.009°
• γ: 90°
• Cell volume: 320.6 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0081
• Residual factor for significantly intense reflections: 0.0081
• Weighted residual factors for significantly intense reflections: 0.0225
• Weighted residual factors for all reflections included in the refinement: 0.0225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No