Information card for entry 4112921

Structure parameters

• Formula: C12 H13 N O3 Ru Si
• Calculated formula: C12 H13 N O3 Ru Si
• SMILES: [Ru]12([n]3c([Si]([CH]2=[CH2]1)(C)C)cccc3)(C#[O])(C#[O])C#[O]
• Title of publication: Catalytic Intermolecular Pauson-Khand-Type Reaction: Strong Directing Effect of Pyridylsilyl and Pyrimidylsilyl Groups and Isolation of Ru Complexes Relevant to Catalytic Reaction
• Authors of publication: Kenichiro Itami; Koichi Mitsudo; Kazuyoshi Fujita; Youichi Ohashi; Jun-ichi Yoshida
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 11058 - 11066
• a: 8.9301 Å
• b: 9.493 ± 0.001 Å
• c: 9.7181 ± 0.0001 Å
• α: 71.094 ± 0.008°
• β: 82.632 ± 0.0003°
• γ: 73.364 ± 0.0004°
• Cell volume: 746.2 ± 0.09 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 2.255
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No