Information card for entry 7703094

Structure parameters

• Formula: C66 H56 Cu F6 N9 O3 P
• Calculated formula: C66 H56 Cu F6 N9 O3 P
• Title of publication: Influence of catalyst nuclearity on copper-catalyzed aerobic alcohol oxidation.
• Authors of publication: Krittametaporn, Nuttaporn; Chantarojsiri, Teera; Virachotikul, Arnut; Phomphrai, Khamphee; Kuwamura, Naoto; Kojima, Tatsuhiro; Konno, Takumi; Sangtrirutnugul, Preeyanuch
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 682 - 689
• a: 10.2363 ± 0.0003 Å
• b: 28.3921 ± 0.001 Å
• c: 20.3755 ± 0.0008 Å
• α: 90°
• β: 103.01 ± 0.002°
• γ: 90°
• Cell volume: 5769.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No