Information card for entry 7705460

Structure parameters

• Formula: C51.88 H61.77 B Cl2.82 Cu N8
• Calculated formula: C51.884 H61.768 B Cl2.822 Cu N8
• 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: 11.7138 ± 0.0006 Å
• b: 11.8974 ± 0.0006 Å
• c: 18.4498 ± 0.001 Å
• α: 83.494 ± 0.003°
• β: 88.272 ± 0.003°
• γ: 82.151 ± 0.003°
• Cell volume: 2530.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0655
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No