Information card for entry 4345632

Structure parameters

• Chemical name: Co(Buacac)3
• Formula: C27 H45 Co O6
• Calculated formula: C27 H45 Co O6
• SMILES: [Co]123(OC(=C(CCCC)C(=[O]1)C)C)(OC(=C(CCCC)C(=[O]2)C)C)OC(=C(C(=[O]3)C)CCCC)C
• Title of publication: Synthesis, Spectroelectrochemical Behavior, and Chiroptical Switching of Tris(β-diketonato) Complexes of Ruthenium(III), Chromium(III), and Cobalt(III)
• Authors of publication: Cortijo, Miguel; Viala, Christine; Reynaldo, Thibault; Favereau, Ludovic; Fabing, Isabelle; Srebro-Hooper, Monika; Autschbach, Jochen; Ratel-Ramond, Nicolas; Crassous, Jeanne; Bonvoisin, Jacques
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 7.8936 ± 0.0004 Å
• b: 12.0734 ± 0.0006 Å
• c: 15.5768 ± 0.0007 Å
• α: 83.375 ± 0.002°
• β: 76.528 ± 0.002°
• γ: 77.644 ± 0.002°
• Cell volume: 1406.86 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No