Information card for entry 7030651

Structure parameters

• Formula: C41 H32 Cl2 Cu N2 O2
• Calculated formula: C41 H30 Cl2 Cu N2 O2
• Title of publication: Steric, geometrical and solvent effects on redox potentials in salen-type copper(II) complexes
• Authors of publication: Hirotsu, Masakazu; Kuwamura, Naoto; Kinoshita, Isamu; Kojima, Masaaki; Yoshikawa, Yuzo; Ueno, Keiji
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7678 - 7683
• a: 12.5803 ± 0.0013 Å
• b: 12.8121 ± 0.0013 Å
• c: 11.3593 ± 0.0011 Å
• α: 103.36 ± 0.007°
• β: 103.987 ± 0.008°
• γ: 81.908 ± 0.009°
• Cell volume: 1721.5 ± 0.3 ų
• Cell temperature: 295.1 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 significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002293
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No