Information card for entry 4304703

Structure parameters

• Formula: C41 H52 Br2 Cl2 Cu N2 O2
• Calculated formula: C41 H52 Br2 Cl2 Cu N2 O2
• Title of publication: Oxidation of ano-Iminobenzosemiquinone Radical Ligand by Molecular Bromine: Structural, Spectroscopic, and Reactivity Studies of a Copper(II) o-Iminobenzoquinone Complex
• Authors of publication: Chandan Mukherjee; Thomas Weyhermüller; Eberhard Bothe; Phalguni Chaudhuri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2740 - 2746
• a: 9.653 ± 0.0003 Å
• b: 20.1784 ± 0.0006 Å
• c: 11.4904 ± 0.0004 Å
• α: 90°
• β: 100.675 ± 0.004°
• γ: 90°
• Cell volume: 2199.39 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No