Information card for entry 7705462

Structure parameters

• Formula: C73 H82 B2 Cl2 Cu3 N12 O4
• Calculated formula: C73 H82 B2 Cl2 Cu3 N12 O4
• Title of publication: Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.
• Authors of publication: Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14647 - 14655
• a: 12.7579 ± 0.0005 Å
• b: 14.4057 ± 0.0006 Å
• c: 21.7302 ± 0.0009 Å
• α: 85.173 ± 0.001°
• β: 74.863 ± 0.001°
• γ: 67.326 ± 0.001°
• Cell volume: 3556.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No