Information card for entry 4127207

Structure parameters

• Formula: C42 H64 N2 Ru Si4
• Calculated formula: C42 H64 N2 Ru Si4
• SMILES: C(#[N]C12CC3CC(C2)CC(C1)C3)[RuH2]12(C#[N]C34CC5CC(C4)CC(C3)C5)([Si](c3ccccc3[Si]1(C)C)(C)C)[Si](c1ccccc1[Si]2(C)C)(C)C
• Title of publication: Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.
• Authors of publication: Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 9.516 ± 0.004 Å
• b: 24.464 ± 0.007 Å
• c: 9.479 ± 0.003 Å
• α: 90°
• β: 108.589 ± 0.009°
• γ: 90°
• Cell volume: 2091.6 ± 1.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No