Information card for entry 4345710

Structure parameters

• Formula: C8 H8 Cu I5 N4
• Calculated formula: C8 H8 Cu I5 N4
• 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: 18.9011 ± 0.0008 Å
• b: 14.8488 ± 0.0007 Å
• c: 12.9302 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3629 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No