Information card for entry 7056511

Structure parameters

• Formula: C36 H54 Co2 N10 O5 S4
• Calculated formula: C36 H53 Co2 N10 O4.5 S4
• 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: 7.9958 ± 0.0004 Å
• b: 10.1437 ± 0.0005 Å
• c: 13.4435 ± 0.0007 Å
• α: 85.118 ± 0.002°
• β: 83.482 ± 0.002°
• γ: 89.535 ± 0.002°
• Cell volume: 1079.38 ± 0.09 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: 0.0313
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No