Information card for entry 2226744

Structure parameters

• Chemical name: Diiodido[4'-(4-pyridyl)-2,2':6',2''-terpyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']copper(II)
• Formula: C20 H14 Cu I2 N4
• Calculated formula: C20 H14 Cu I2 N4
• SMILES: [Cu]12(I)(I)[n]3c(c4cc(c5ccncc5)cc(c5cccc[n]25)[n]14)cccc3
• Title of publication: Diiodido[4'-(4-pyridyl)-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']copper(II)
• Authors of publication: Chen, Feng-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m755
• a: 11.9882 ± 0.0008 Å
• b: 14.642 ± 0.001 Å
• c: 12.0291 ± 0.0008 Å
• α: 90°
• β: 110.24 ± 0.001°
• γ: 90°
• Cell volume: 1981.1 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes