Information card for entry 7056509

Structure parameters

• Formula: C37 H54 Co2 N11 O4 S5
• Calculated formula: C37 H54 Co2 N11 O4 S5
• Title of publication: Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand
• Authors of publication: Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 9784 - 9795
• a: 18.977 ± 0.003 Å
• b: 11.8646 ± 0.0017 Å
• c: 21.938 ± 0.003 Å
• α: 90°
• β: 108.078 ± 0.004°
• γ: 90°
• Cell volume: 4695.6 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0862
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No