Information card for entry 7057870

Structure parameters

• Formula: C50 H68 Co4 N8 O10 Se2
• Calculated formula: C50 H68 Co4 N8 O10 Se2
• Title of publication: Rare azido and hydroxido bridged tetranuclear Co(II) complexes of a polynucleating Mannich base ligand with defect dicubane core: Structures, magnetism and phenoxazinone synthase like activity
• Authors of publication: Das, Avijit; Goswami, Soumyabrata; Ghosh, Ashutosh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• a: 10.8554 ± 0.0006 Å
• b: 19.3089 ± 0.001 Å
• c: 13.0765 ± 0.0007 Å
• α: 90°
• β: 90.839 ± 0.003°
• γ: 90°
• Cell volume: 2740.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No