Information card for entry 7048809

Structure parameters

• Common name: [{PhB(MeIm)3}Co(acac)(MeImH)]OTf H2O
• Chemical name: [{tris(1-methylimidazol-2-ylidene-3-yl)phenylborato}(acetylacetonato)(1-methylimidazole)cobalt(III)] triflate H2O
• Formula: C28 H35 B Co F3 N8 O6 S
• Calculated formula: C28 H35 B Co F3 N8 O6 S
• Title of publication: Heteroleptic cobalt(iii) acetylacetonato complexes with N-heterocyclic carbine-donating scorpionate ligands: synthesis, structural characterization and catalysis.
• Authors of publication: Nishiura, Toshiki; Takabatake, Asako; Okutsu, Mariko; Nakazawa, Jun; Hikichi, Shiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 2564 - 2568
• a: 24.1934 ± 0.0016 Å
• b: 13.0996 ± 0.0006 Å
• c: 21.9782 ± 0.0016 Å
• α: 90°
• β: 115.652 ± 0.002°
• γ: 90°
• Cell volume: 6278.9 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No