Information card for entry 4338863

Structure parameters

• Formula: C49 H68 B2 Cu2 N12 O3
• Calculated formula: C49 H68 B2 Cu2 N12 O3
• Title of publication: Effects of the substituents in the TpxCu activation of dioxygen: an experimental study.
• Authors of publication: Mairena, Miguel A.; Urbano, Juan; Carbajo, José; Maraver, J Joaquín; Alvarez, Eleuterio; Díaz-Requejo, M Mar; Pérez, Pedro J
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7428 - 7435
• a: 12.31 ± 0.004 Å
• b: 24.837 ± 0.007 Å
• c: 16.479 ± 0.005 Å
• α: 90°
• β: 103.257 ± 0.009°
• γ: 90°
• Cell volume: 4904 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0962
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No