Information card for entry 7047829

Structure parameters

• Formula: C34 H42 Cu2 N6 O6
• Calculated formula: C34 H42 Cu2 N6 O6
• 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: 13.75 ± 0.003 Å
• b: 7.8669 ± 0.0017 Å
• c: 16.223 ± 0.004 Å
• α: 90°
• β: 98.271 ± 0.01°
• γ: 90°
• Cell volume: 1736.6 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0633
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No