Information card for entry 4107948

Structure parameters

• Formula: C19 H18 Cl4 F3 N4 O5 Rh S
• Calculated formula: C19 H18 Cl4 F3 N4 O5 Rh S
• SMILES: C12N(C=CN1C)c1ccccc1N1C(=[Rh]=2(C#[O])C#[O])N(C=C1)C.C(F)(F)(S(=O)(=O)[O-])F.C(Cl)Cl.C(Cl)Cl
• 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: 13.5516 ± 0.0005 Å
• b: 11.7085 ± 0.0004 Å
• c: 16.9923 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2696.15 ± 0.17 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.0302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No