Information card for entry 4088646

Structure parameters

• Formula: C44 H60 Co N2 Ru2
• Calculated formula: C44 H45 Co N2 Ru2
• SMILES: [Ru]1234567([Ru]89%10%11%12([H]6)([Co]61([H]7)([H]%10)[n]1c(c7[n]6ccc(c7)C)cc(cc1)C)[c]1([c]9([c]8([c]%11([c]1%12C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.c1(cc(ccc1)C)C.c1(cc(ccc1)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: 11.7127 ± 0.0006 Å
• b: 13.9723 ± 0.0006 Å
• c: 14.2409 ± 0.0008 Å
• α: 73.4 ± 0.0016°
• β: 74.352 ± 0.0018°
• γ: 70.235 ± 0.0014°
• Cell volume: 2062.77 ± 0.18 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No