Information card for entry 4080777

Structure parameters

• Formula: C20 H26 B2 Co F3 O3 Ru S
• Calculated formula: C20 H26 B2 Co F3 O3 Ru S
• SMILES: [Ru]123456789([C]%10%11([Co]%12%13%14%15%16%17%18([C]1([C]2%12([B]4%11%14C)C)([B]3%10%13C)C)[cH]1[cH]%15[cH]%18[cH]%16[cH]%171)C)[cH]1[cH]5[cH]6[cH]8[cH]9[cH]71.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Monocationic μ-Diborolyl Triple-Decker Complexes [CpCo(μ-1,3-C3B2Me5)M(ring)]+: Synthesis, Structures, and Electrochemistry
• Authors of publication: Muratov, Dmitry V.; Romanov, Alexander S.; Timofeeva, Tatiana V.; Siebert, Walter; Corsini, Maddalena; Fedi, Serena; Zanello, Piero; Kudinov, Alexander R.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2713
• a: 8.747 ± 0.0009 Å
• b: 9.4004 ± 0.001 Å
• c: 15.1277 ± 0.0016 Å
• α: 73.368 ± 0.002°
• β: 74.926 ± 0.002°
• γ: 89.972 ± 0.003°
• Cell volume: 1147.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No