Information card for entry 7703095

Structure parameters

• Formula: C77 H79 Br3 Cu3 N18 O9
• Calculated formula: C77 H79 Br3 Cu3 N18 O9
• 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: 14.284 ± 0.002 Å
• b: 14.674 ± 0.002 Å
• c: 19.778 ± 0.003 Å
• α: 108.886 ± 0.005°
• β: 91.815 ± 0.006°
• γ: 95.593 ± 0.006°
• Cell volume: 3894.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.85 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: 0.0617
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No