Information card for entry 4088647

Structure parameters

• Formula: C36 H51 Co F3 N Ru2
• Calculated formula: C36 H51 Co F3 N Ru2
• SMILES: [Ru]12345678([H][Ru]79%10%11%12%13%14%15([H][Co]17%13%16%17%18([H]8)([c]1%14[n]2%15ccc(c1)C(F)(F)F)[c]1([c]7([c]%17([c]%18([c]%161C)C)C)C)C)[c]1([c]%12([c]%11([c]%10([c]91C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by a Trinuclear Complex of Ruthenium and Cobalt
• Authors of publication: Nagaoka, Masahiro; Kawashima, Takashi; Suzuki, Hiroharu; Takao, Toshiro
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 14
• Pages of publication: 2348
• a: 9.0941 ± 0.0004 Å
• b: 10.9854 ± 0.0005 Å
• c: 17.6963 ± 0.0008 Å
• α: 84.25 ± 0.0012°
• β: 88.121 ± 0.0016°
• γ: 80.34 ± 0.0016°
• Cell volume: 1733.84 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No