Information card for entry 7056510

Structure parameters

• Formula: C34 H55 Co2 N19 O4
• Calculated formula: C34 H55 Co2 N19 O4
• 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: 25.636 ± 0.003 Å
• b: 10.3538 ± 0.0004 Å
• c: 19.712 ± 0.002 Å
• α: 90°
• β: 126.446 ± 0.016°
• γ: 90°
• Cell volume: 4208.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No