Information card for entry 7057685

Structure parameters

• Formula: C37 H42 Co N9 O8 S
• Calculated formula: C37 H42 Co N9 O8 S
• Title of publication: Syntheses, crystal structures, DNA binding, DNA cleavage and DFT study of Co(iii) complexes involving azo-appended Schiff base ligands
• Authors of publication: Banerjee, Saikat; Patra, Roumi; Ghorai, Pravat; Brandão, Paula; Chowdhury, Sougata Ghosh; Karmakar, Parimal; Saha, Amrita
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 16571
• a: 9.542 ± 0.0005 Å
• b: 11.3017 ± 0.0006 Å
• c: 19.662 ± 0.001 Å
• α: 77.892 ± 0.002°
• β: 80.607 ± 0.002°
• γ: 70.374 ± 0.002°
• Cell volume: 1942.83 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0937
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No