Information card for entry 7055820

Structure parameters

• Common name: DDJS-43
• Formula: C20 H16 Cl2 Cu N4 O
• Calculated formula: C20 H16 Cl2 Cu N4 O
• SMILES: [Cu]12(Cl)(Cl)[n]3c(CN4C(=O)c5ccccc5C4=[N]1Cc1[n]2cccc1)cccc3
• Title of publication: Cu(ii) complex of a new isoindole derivative: structure, catecholase like activity, antimicrobial properties and bio-molecular interactions
• Authors of publication: Adhikari, Sangita; Lohar, Sisir; Kumari, Babli; Banerjee, Aparna; Bandopadhyay, Rajib; Matalobos, Jesús Sanmartín; Das, Debasis
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 10094
• a: 7.6364 ± 0.0004 Å
• b: 11.093 ± 0.0006 Å
• c: 12.7629 ± 0.0006 Å
• α: 95.949 ± 0.003°
• β: 91 ± 0.003°
• γ: 99.504 ± 0.003°
• Cell volume: 1059.91 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No