Information card for entry 8102613

Structure parameters

• Common name: N-(5-((pyridin-2-yl)methoxy) -4-ethynyl-2,3-dihydro-2-(pyridin-2-yl)benzofuran-3-yl)picolinamidecopper(I) —Methanol chloride
• Chemical name: N-(5-((pyridin-2-yl)methoxy) -4-ethynyl-2,3-dihydro-2-(pyridin-2-yl)benzofuran-3-yl) picolinamidecopper(I) – methanol chloride
• Formula: C27 H20 Cl Cu N5 O4
• Calculated formula: C27 H20 Cl Cu N5 O4
• SMILES: c1cccc(COc2ccc3c(c2C#N)c2c(c4cccc[n]4[Cu]4([n]5ccccc5C(=O)N24)Cl)o3)n1.CO
• Title of publication: Crystal structure of N-(5-((pyridin-2-yl)methoxy)-4-ethynyl-2,3-dihydro-2-(pyridin-2-yl)benzofuran-3-yl)picolinamidecopper(I) chloride — methanol, Cu(C26H16O3N5)Cl · CH3OH
• Authors of publication: Wei-Qiu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 97
• a: 7.6112 ± 0.0003 Å
• b: 9.5277 ± 0.0005 Å
• c: 17.2876 ± 0.0007 Å
• α: 86.815 ± 0.004°
• β: 87.138 ± 0.004°
• γ: 77.949 ± 0.004°
• Cell volume: 1223.18 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No