Information card for entry 1569739

Structure parameters

• Formula: C71 H91 B2 Cu N11
• Calculated formula: C71 H91 B2 Cu N11
• Title of publication: Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system
• Authors of publication: Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5859 - 5867
• a: 12.9525 ± 0.0009 Å
• b: 13.3361 ± 0.0011 Å
• c: 20.9485 ± 0.0014 Å
• α: 83.572 ± 0.006°
• β: 78.793 ± 0.005°
• γ: 66.559 ± 0.005°
• Cell volume: 3254.2 ± 0.4 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No