Information card for entry 2231779

Structure parameters

• Chemical name: <i>catena</i>-Poly[copper(I)-bis[μ-3-(1<i>H</i>-imidazol-2-yl)pyridine]- copper(I)-di-μ-iodido]
• Formula: C16 H14 Cu2 I2 N6
• Calculated formula: C16 H14 Cu2 I2 N6
• SMILES: [I]1[Cu]([I][Cu]21[n]1cc[nH]c1c1ccc[n](c1)[Cu]1([I][Cu][I]1)[n]1cc[nH]c1c1ccc[n]2c1)([n]1cc(ccc1)c1[nH]ccn1)[n]1cc[nH]c1c1cccnc1
• Title of publication: <i>catena</i>-Poly[copper(I)-bis[μ-3-(1<i>H</i>-imidazol-2-yl)pyridine]-copper(I)-di-μ-iodido]
• Authors of publication: Zhan, Qing-Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1288
• a: 8.141 ± 0.003 Å
• b: 8.306 ± 0.003 Å
• c: 8.816 ± 0.005 Å
• α: 114.683 ± 0.006°
• β: 101.989 ± 0.005°
• γ: 108.258 ± 0.004°
• Cell volume: 473.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes