Information card for entry 1569735

Structure parameters

• Formula: C14 H33 Cl2 Cu N5 O8
• Calculated formula: C14 H33 Cl2 Cu N5 O8
• 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: 9.7458 ± 0.0009 Å
• b: 15.2404 ± 0.0014 Å
• c: 15.8334 ± 0.0014 Å
• α: 90°
• β: 91.303 ± 0.006°
• γ: 90°
• Cell volume: 2351.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0821
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No