Information card for entry 4067126

Structure parameters

• Formula: C24 H27 Cl Fe I N2 O P
• Calculated formula: C24 H27 Cl Fe I N2 O P
• SMILES: C(#[O])[Fe]12345(=C(NCCC[P]5(c5ccccc5)c5ccccc5)NCCCl)[cH]5[cH]1[cH]2[cH]3[cH]45.[I-]
• 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: 20.232 ± 0.0003 Å
• b: 20.232 Å
• c: 10.5999 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3757.6 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No