Information card for entry 7107541

Structure parameters

• Formula: C27 H27 Fe N O S Si
• Calculated formula: C27 H27 Fe N O S Si
• SMILES: [Fe]1234(S[Si](c5ccccc5)(c5ccccc5)c5ccccc5)(=CN(C)C)(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: Desulfurization of N,N-dimethylthioformamide by hydrosilane with the help of an iron complex. Isolation and characterization of an iron-carbene complex as an intermediate of C[double bond, length as m-dash]S double bond cleavage
• Authors of publication: Kozo Fukumoto; Akane Sakai; Tsukuru Oya; Hiroshi Nakazawa
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3809
• a: 16.037 ± 0.002 Å
• b: 9.3525 ± 0.0011 Å
• c: 16.402 ± 0.002 Å
• α: 90°
• β: 101.572 ± 0.003°
• γ: 90°
• Cell volume: 2410.1 ± 0.5 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No