Information card for entry 7047828

Structure parameters

• Formula: C15 H18 Cl Cu N3 O
• Calculated formula: C15 H18 Cl Cu N3 O
• Title of publication: Synthesis of quinolinyl-based pincer copper(ii) complexes: an efficient catalyst system for Kumada coupling of alkyl chlorides and bromides with alkyl Grignard reagents.
• Authors of publication: Pandiri, Hanumanprasad; Gonnade, Rajesh G.; Punji, Benudhar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 46
• Pages of publication: 16747 - 16754
• a: 14.5925 ± 0.0006 Å
• b: 13.2202 ± 0.0006 Å
• c: 16.1405 ± 0.0006 Å
• α: 90°
• β: 101.955 ± 0.002°
• γ: 90°
• Cell volume: 3046.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0259
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No