Information card for entry 4328165

Structure parameters

• Formula: C41 H57 Cl2 Cu2 N5 O13
• Calculated formula: C41 H57 Cl2 Cu2 N5 O13
• Title of publication: Synthesis, Magnetostructural Correlation, and Catalytic Promiscuity of Unsymmetric Dinuclear Copper(II) Complexes: Models for Catechol Oxidases and Hydrolases
• Authors of publication: Renata E. H. M. B. Osório; Rosely A. Peralta; Adailton J. Bortoluzzi; Vicente R. de Almeida; Bruno Szpoganicz; Franciele L. Fischer; Hernán Terenzi; Antonio S. Mangrich; Karen Mary Mantovani; Dalva E. C. Ferreira; Willian R. Rocha; Wolfgang Haase; Zbigniew Tomkowicz; Ademir dos Anjos; Ademir Neves
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1569 - 1589
• a: 15.041 ± 0.001 Å
• b: 18.556 ± 0.001 Å
• c: 20.663 ± 0.001 Å
• α: 66.485 ± 0.006°
• β: 68.511 ± 0.006°
• γ: 72.333 ± 0.007°
• Cell volume: 4836.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2336
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No