Information card for entry 4338862

Structure parameters

• Formula: C19 H4 B2 Br18 Cl2 Cu N12
• Calculated formula: C19 H4 B2 Br18 Cl2 Cu N12
• 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: 12.5043 ± 0.001 Å
• b: 13.0229 ± 0.0012 Å
• c: 15.5065 ± 0.0015 Å
• α: 69.468 ± 0.002°
• β: 75.945 ± 0.002°
• γ: 69.019 ± 0.002°
• Cell volume: 2188 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No