Information card for entry 7217213

Structure parameters

• Formula: C21 H18 Cu N4 O4
• Calculated formula: C21 H18 Cu N4 O4
• SMILES: c12ccccc1ccc1c2C=[N]2CCc3n(C)c4ccccc4[n]3[Cu]2(O1)ON(=O)=O
• Title of publication: Aerobic Oxidation of 1,10-Phenanthroline to Phen-dione Catalyzed by Copper(II) Complexes of a Benzimidazolyl Schiff Base
• Authors of publication: mathur, pavan; Kumar, Ravinder
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 8.1881 ± 0.0004 Å
• b: 14.3725 ± 0.0007 Å
• c: 16.7302 ± 0.0008 Å
• α: 69.37 ± 0.004°
• β: 83.087 ± 0.004°
• γ: 87.734 ± 0.004°
• Cell volume: 1829.21 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No