Information card for entry 4326879

Structure parameters

• Formula: C41 H66 Cu N3 O4.5
• Calculated formula: C41 H65 Cu N3 O4.5
• Title of publication: Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors
• Authors of publication: Rajendra Shakya; Zhaodong Wang; Douglas R. Powell; Robert P. Houser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11581 - 11591
• a: 12.597 ± 0.002 Å
• b: 13.704 ± 0.003 Å
• c: 23.683 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4088.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No