Information card for entry 4067015

Structure parameters

• Formula: C47 H55 B N2 O Ru S
• Calculated formula: C47 H49 B N2 O Ru S
• SMILES: [Ru]12345(=S)([NH2]C)(C#[N]c6c(cccc6C)C)[c]6([c]1([c]2([c]3([c]4([c]56C)C)C)C)C)C.O.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Reactivity of 2-Aminoethanethiolato-Bridged Dinuclear Ru(hmb) Complexes (hmb = η6-hexamethylbenzene): Mechanistic Consideration on Transfer Hydrogenation with Bifunctional [RuCl2(hmb)]2/2-Aminoethanethiol Catalyst System
• Authors of publication: Ito, Masato; Watanabe, Akira; Shibata, Yuji; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4584
• a: 19.257 ± 0.005 Å
• b: 8.963 ± 0.002 Å
• c: 24.686 ± 0.007 Å
• α: 90°
• β: 103.608 ± 0.004°
• γ: 90°
• Cell volume: 4141.2 ± 1.8 ų
• Cell temperature: 193.1 K
• Ambient diffraction temperature: 193.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No