Information card for entry 4127203

Structure parameters

• Formula: C40 H56 Fe N2 Si4
• Calculated formula: C40 H56 Fe N2 Si4
• SMILES: c1c(C)c(c(cc1C)C)[N]#C[FeH2]12(C#[N]c3c(cc(cc3C)C)C)([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: 9.239 ± 0.002 Å
• b: 15.723 ± 0.004 Å
• c: 13.879 ± 0.004 Å
• α: 90°
• β: 92.646 ± 0.003°
• γ: 90°
• Cell volume: 2014 ± 0.9 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0394
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No