Information card for entry 7030650

Structure parameters

• Formula: C42 H36 Cu N2 O3
• Calculated formula: C42 H36 Cu N2 O3
• SMILES: [Cu]123Oc4ccccc4C(=[N]2[C@@H](c2ccccc2)[C@@H]([N]3=C(c2c(cccc2)O1)c1ccccc1)c1ccccc1)c1ccccc1.OCC.[Cu]123Oc4ccccc4C(=[N]2[C@H](c2ccccc2)[C@H]([N]3=C(c2c(cccc2)O1)c1ccccc1)c1ccccc1)c1ccccc1.OCC
• 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: 12.7373 ± 0.0013 Å
• b: 19.8056 ± 0.0013 Å
• c: 13.754 ± 0.002 Å
• α: 90°
• β: 92.992 ± 0.011°
• γ: 90°
• Cell volume: 3465 ± 0.7 ų
• Cell temperature: 295.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002292
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No