Information card for entry 4088645

Structure parameters

• Formula: C22 H27 Co N2
• Calculated formula: C22 H27 Co N2
• SMILES: [Co]12345([n]6c(c7[n]1ccc(c7)C)cc(cc6)C)[c]1([c]2([c]3([c]4([c]51C)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: 9.3575 ± 0.0012 Å
• b: 10.5822 ± 0.0012 Å
• c: 10.6591 ± 0.0012 Å
• α: 113.522 ± 0.003°
• β: 106.077 ± 0.004°
• γ: 93.945 ± 0.004°
• Cell volume: 910.48 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1446
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No