Information card for entry 4326881

Structure parameters

• Formula: C23 H27 Cu N5 O8
• Calculated formula: C23 H25 Cu N5 O7
• SMILES: [Cu]1234Oc5ccc(cc5C[NH]1CC(C)(c1cccc[n]21)C[NH]3Cc1cc(ccc1O4)N(=O)=O)N(=O)=O.O
• 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: 21.15 ± 0.005 Å
• b: 10.823 ± 0.003 Å
• c: 22.675 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5190 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No