Information card for entry 7026855

Structure parameters

• Common name: chloro(8-(dimesitylboryl)quinoline-kN)copper(i)
• Chemical name: chloro[8-(dimesitylboryl)quinoline-kN]copper(I)
• Formula: C54 H56 B2 Cl2 Cu2 N2
• Calculated formula: C54 H56 B2 Cl2 Cu2 N2
• SMILES: c1ccc2cccc3B(c4c(cc(cc4C)C)C)[c]45[c](cc(cc5C)C)(C)[Cu]54([Cl][Cu]46([c]7([c]6(cc(cc7C)C)C)B(c6cccc7ccc[n]4c67)(c4c(cc(cc4C)C)C))[Cl]5)[n]1c23
• Title of publication: Reactivity of the bifunctional ambiphilic molecule 8-(dimesitylboryl)quinoline: hydrolysis and coordination to Cu(I), Ag(I) and Pd(II).
• Authors of publication: Son, Jung-Ho; Pudenz, Michael A.; Hoefelmeyer, James D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 11081 - 11090
• a: 8.9701 ± 0.0007 Å
• b: 10.717 ± 0.0008 Å
• c: 12.9059 ± 0.0009 Å
• α: 104.388 ± 0.001°
• β: 100.943 ± 0.001°
• γ: 101.102 ± 0.001°
• Cell volume: 1141.81 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No