Information card for entry 7120309

Structure parameters

• Chemical name: unk
• Formula: C42 H54 Co N2 O2
• Calculated formula: C42 H52 Co N2 O2
• Title of publication: Monoradical-Containing Four-Coordinate Co(III) Complexes: Homolytic S-S, Se-Se Bond Cleavage and Catalytic Isocyanate to Urea Conversion Under Sunlight
• Authors of publication: Mukherjee, Chandan; Paul, Ganesh Chandra; Ghorai, Samir
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 5.9742 ± 0.0003 Å
• b: 12.7038 ± 0.0011 Å
• c: 13.2139 ± 0.0007 Å
• α: 73.037 ± 0.007°
• β: 85.63 ± 0.004°
• γ: 83.989 ± 0.007°
• Cell volume: 952.87 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No