Information card for entry 7048810

Structure parameters

• Common name: [Co(PhBMeIm3)2](OTf)(CH2Cl2)2
• Chemical name: [bis(tris(1-methylimidazol-2-ylidene-3-yl)phenylborato)cobalt(III)](OTf)(CH2Cl2)2
• Formula: C39 H44 B2 Cl4 Co F3 N12 O3 S
• Calculated formula: C39 H44 B2 Cl4 Co F3 N12 O3 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: 9.9266 ± 0.0004 Å
• b: 12.0407 ± 0.0007 Å
• c: 19.3675 ± 0.0008 Å
• α: 89.36 ± 0.006°
• β: 86.399 ± 0.005°
• γ: 85.143 ± 0.005°
• Cell volume: 2301.96 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No