Information card for entry 1550951

Structure parameters

• Formula: C32 H46 N2 Ru2
• Calculated formula: C32 H46 N2 Ru2
• SMILES: [Ru]123456([H][RuH]789%10%11([N]%121=[C]7(C=C(CC%12)C)c1[n]2ccc(c1)C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site
• Authors of publication: Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru
• Journal of publication: Faraday Discussions
• Year of publication: 2019
• a: 19.752 ± 0.0006 Å
• b: 8.4978 ± 0.00019 Å
• c: 34.8959 ± 0.0007 Å
• α: 90°
• β: 101.384 ± 0.0008°
• γ: 90°
• Cell volume: 5742 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No