Information card for entry 4107949

Structure parameters

• Formula: C26 H21 F3 N2 O5 P Rh S
• Calculated formula: C26 H21 F3 N2 O5 P Rh S
• SMILES: [Rh]1(=C2N(C=CN2C)c2ccccc2[P+](c2ccccc2)(c2ccccc2)C1)(C#[O])C#[O].C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: Diaminocarbene and Phosphonium Ylide Ligands: A Systematic Comparison of their Donor Character
• Authors of publication: Yves Canac; Christine Lepetit; Mohammed Abdalilah; Carine Duhayon; Remi Chauvin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8406 - 8413
• a: 10.9475 ± 0.0009 Å
• b: 15.1007 ± 0.001 Å
• c: 16.0585 ± 0.0013 Å
• α: 90°
• β: 91.497 ± 0.01°
• γ: 90°
• Cell volume: 2653.8 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No