Information card for entry 4070333

Structure parameters

• Formula: C40 H36 Fe N O P Si
• Calculated formula: C40 H36 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
• Title of publication: Template Synthesis of Donor-Functionalized NX-Carbenes (X = P, Si)
• Authors of publication: Yu, Insun; Wallis, Christopher J.; Patrick, Brian O.; Mehrkhodavandi, Parisa
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6370
• a: 20.407 ± 0.003 Å
• b: 10.1257 ± 0.0012 Å
• c: 15.793 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3263.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No