Information card for entry 2239680

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(pyrazine-2-carboxamide-κ<i>N</i>^4^)copper(I)]-μ~3~-iodido]
• Formula: C5 H5 Cu I N3 O
• Calculated formula: C5 H5 Cu I N3 O
• SMILES: [I]12[Cu]3([n]4cc(ncc4)C(=O)N)[Cu]14([I]3)([n]1cc(ncc1)C(=O)N)[Cu]213([n]2cc(ncc2)C(=O)N)[I]4[Cu]1([I]3)[n]1cc(ncc1)C(=O)N
• Title of publication: <i>catena</i>-Poly[[(pyrazine-2-carboxamide-κ<i>N</i>^4^)copper(I)]-μ~3~-iodido]
• Authors of publication: Krivosudský, Lukáš; Rakovský, Erik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: m267 - m268
• a: 29.5408 ± 0.0007 Å
• b: 4.0795 ± 0.0001 Å
• c: 14.3164 ± 0.0003 Å
• α: 90°
• β: 111.712 ± 0.003°
• γ: 90°
• Cell volume: 1602.89 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for all reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes