Information card for entry 7218433

Structure parameters

• Formula: C18 H13 Cu N3 O3
• Calculated formula: C18 H13 Cu N3 O3
• SMILES: [Cu]12([N](=Cc3cccc(c3O1)OC)c1c3[n]2cccc3ccc1)N=C=O
• Title of publication: Influence of anionic co-ligands on the structural diversity and catecholase activity of copper(II) complexes with 2-methoxy-6-(8-iminoquinolinylmethyl)phenol
• Authors of publication: Saha, Amrita; Panja, Anangamohan; Shyamal, Milan; Mandal, Tarun Kanti
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 7.298 ± 0.0002 Å
• b: 14.4856 ± 0.0005 Å
• c: 14.9016 ± 0.0005 Å
• α: 85.634 ± 0.002°
• β: 83.851 ± 0.002°
• γ: 78.042 ± 0.002°
• Cell volume: 1529.93 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No