Information card for entry 4347701

Structure parameters

• Common name: tp060512
• Chemical name: tp060512
• Formula: C29 H50 B Cu F3 N6 O
• Calculated formula: C29 H50 B Cu F3 N6 O
• Title of publication: Synthesis, Radical Reactivity, and Thermochemistry of Monomeric Cu(II) Alkoxide Complexes Relevant to Cu/Radical Alcohol Oxidation Catalysis.
• Authors of publication: Porter, Thomas R.; Capitao, Dany; Kaminsky, Werner; Qian, Zhaoshen; Mayer, James M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5467 - 5475
• a: 10.2492 ± 0.0013 Å
• b: 20.261 ± 0.003 Å
• c: 15.796 ± 0.002 Å
• α: 90°
• β: 90.045 ± 0.006°
• γ: 90°
• Cell volume: 3280.2 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No