Information card for entry 4067130

Structure parameters

• Formula: C40 H37 B F4 Fe N O P Si
• Calculated formula: C40 H37 B F4 Fe N O P Si
• SMILES: C(#[O])[Fe]12345(=C(NCCC[P]5(c5ccccc5)c5ccccc5)[Si](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45.[B](F)(F)(F)[F-]
• Title of publication: Phosphine-Tethered Carbene Ligands: Template Synthesis and Reactivity of Cyclic and Acyclic Functionalized Carbenes
• Authors of publication: Yu, Insun; Wallis, Christopher J.; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 6065
• a: 8.9075 ± 0.0003 Å
• b: 13.6417 ± 0.0004 Å
• c: 15.2165 ± 0.0004 Å
• α: 97.466 ± 0.002°
• β: 98.451 ± 0.002°
• γ: 107.81 ± 0.002°
• Cell volume: 1710.99 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No