Information card for entry 4326878

Structure parameters

• Formula: C304 H330 Cl12 Cu18 N38 O72
• Calculated formula: C304 H330 Cl12 Cu18 N38 O72
• 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: 21.676 ± 0.003 Å
• b: 43.659 ± 0.006 Å
• c: 18.355 ± 0.002 Å
• α: 90°
• β: 114.411 ± 0.008°
• γ: 90°
• Cell volume: 15817 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1266
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No