Information card for entry 7059012

Structure parameters

• Formula: C44 H40 Cl Co2 N4 O13
• Calculated formula: C44 H40 Cl Co2 N4 O13
• Title of publication: Synthesis, structure and phenoxazinone synthase-like activity of three unprecedented alternating CoII‒CoIII 1D chains
• Authors of publication: Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Sarkar, Koushik; Ghosh, Ashutosh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 11.051 ± 0.005 Å
• b: 15.773 ± 0.005 Å
• c: 26.463 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4613 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No