Information card for entry 4080778

Structure parameters

• Formula: C25 H38 B2 Co F6 P Ru
• Calculated formula: C25 H38 B2 Co F6 P Ru
• SMILES: [Ru]123456789([c]%10([c]6([c]7([c]3([c]5([c]8%10C)C)C)C)C)C)[B]35([C]69([Co]789%10%11%123([C]16([B]27([C]458C)C)C)[cH]1[cH]%12[cH]%11[cH]%10[cH]91)C)C.[P](F)(F)(F)(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: 11.6418 ± 0.0013 Å
• b: 8.8538 ± 0.0011 Å
• c: 26.659 ± 0.003 Å
• α: 90°
• β: 101.774 ± 0.003°
• γ: 90°
• Cell volume: 2690 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No