Information card for entry 7120312

Structure parameters

• Chemical name: Unknown
• Formula: C42 H54 Cl Co N2 O2
• Calculated formula: C42 H54 Cl Co N2 O2
• SMILES: [Co]12(Oc3c(cc(C(C)(C)C)cc3N2c2c(cccc2)C)C(C)(C)C)(Oc2c(C(C)(C)C)cc(cc2N1c1c(cccc1)C)C(C)(C)C)Cl
• 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: 15.3395 ± 0.0002 Å
• b: 15.3395 ± 0.0002 Å
• c: 16.7305 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3936.69 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No