Information card for entry 7715384

Structure parameters

• Formula: C29 H44 N2 O3 Ru Si
• Calculated formula: C29 H44 N2 O3 Ru Si
• SMILES: [RuH]1([Si](C(C)(C)C)(C(C)(C)C)CN2C=1N(C(=C2C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Iron complexes supported by silyl-NHC chelate ligands: synthesis and use for double hydroboration of nitriles.
• Authors of publication: Komuro, Takashi; Hayasaka, Kohei; Takahashi, Kasumi; Ishiwata, Nozomu; Yamauchi, Kota; Tobita, Hiromi; Hashimoto, Hisako
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4041 - 4047
• a: 8.81 ± 0.0004 Å
• b: 10.8356 ± 0.0003 Å
• c: 16.6668 ± 0.0008 Å
• α: 105.883 ± 0.002°
• β: 97.718 ± 0.0012°
• γ: 97.7921 ± 0.0009°
• Cell volume: 1491.44 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No