Information card for entry 4088648

Structure parameters

• Formula: C36 H54 N Rh Ru2
• Calculated formula: C36 H54 N Rh Ru2
• SMILES: [Rh]12345678([H][Ru]79%10%11%12%13%14([H][Ru]17%12%15%16%17%18([H]8)([n]1%13ccc(c[c]271)C)[c]1([c]%17([c]%18([c]%15([c]%161C)C)C)C)C)[c]1([c]%11([c]%10([c]9([c]1%14C)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: 13.8717 ± 0.0005 Å
• b: 17.7171 ± 0.0005 Å
• c: 14.1363 ± 0.0006 Å
• α: 90°
• β: 104.144 ± 0.0014°
• γ: 90°
• Cell volume: 3368.9 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No