Information card for entry 7217214

Structure parameters

• Formula: C21 H18 Cl Cu N3 O
• Calculated formula: C21 H18 Cl Cu N3 O
• SMILES: c12ccccc1n(C)c1CC[N]3=Cc4c5ccccc5ccc4O[Cu]3([n]21)Cl
• 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: 8.2057 ± 0.0006 Å
• b: 23.5851 ± 0.0016 Å
• c: 9.752 ± 0.0009 Å
• α: 90°
• β: 106.423 ± 0.008°
• γ: 90°
• Cell volume: 1810.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0772
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No