Information card for entry 7056239

Structure parameters

• Formula: C12 H17 Cl2 Cu N3 O
• Calculated formula: C12 H17 Cl2 Cu N3 O
• SMILES: [Cu]12(Cl)(Cl)[n]3ccccc3C=[N]1CC[N]12CCOCC1
• Title of publication: Mono-, tri- and polynuclear copper(II) complexes of Schiff-base ligands: Synthesis, characterization and catalytic activity towards alcohol oxidation
• Authors of publication: Bhattacharjee, Aradhita; Halder, Shibashis; Ghosh, Koushik; Rizzoli, Corrado; Roy, Partha
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 5696 - 5706
• a: 24.123 ± 0.006 Å
• b: 6.7026 ± 0.0016 Å
• c: 17.89 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2892.6 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No