Information card for entry 7715383

Structure parameters

• Formula: C29 H44 Fe N2 O3 Si
• Calculated formula: C29 H44 Fe N2 O3 Si
• SMILES: [FeH]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: 8.55 ± 0.0004 Å
• b: 11.373 ± 0.0006 Å
• c: 16.0634 ± 0.0006 Å
• α: 105.021 ± 0.0018°
• β: 96.16 ± 0.001°
• γ: 99.732 ± 0.001°
• Cell volume: 1468.06 ± 0.12 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: 0.1012
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No