Information card for entry 4313429

Structure parameters

• Chemical name: Catena[CuI(-2-Iodopyrazine-N)] (yellow modification)
• Formula: C4 H3 Cu I2 N2
• Calculated formula: C4 H3 Cu I2 N2
• Title of publication: Dimorphism of a New CuI Coordination Polymer: Synthesis, Crystal Structures and Properties of Catena[CuI(2-Iodopyrazine-N)] and Poly[CuI(μ2-2-Iodopyrazine-N,N')]
• Authors of publication: Christian Näther; Mario Wriedt; Inke Jess
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2391 - 2397
• a: 4.183 ± 0.0006 Å
• b: 10.8138 ± 0.0008 Å
• c: 17.961 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 812.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0477
• 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