Information card for entry 7044111

Structure parameters

• Formula: C35 H35 F6 N2 O6 P S2
• Calculated formula: C35 H35 F6 N2 O6 P S2
• SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[P+](c1ccccc1)(CCCn1c[n+](c2c(cc(C)cc2C)C)cc1)(c1ccccc1)c1ccccc1
• Title of publication: A Convenient Access to N-Phosphonio-Substituted NHC Metal Complexes [M = Ag(I), Rh(I), Pd(II)]
• Authors of publication: CANAC, Yves; Lugan, Noël; Benaissa, Idir; Taakili, Rachid
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.7214 ± 0.0004 Å
• b: 13.9079 ± 0.0007 Å
• c: 15.3042 ± 0.0007 Å
• α: 68.116 ± 0.002°
• β: 87.751 ± 0.002°
• γ: 70.945 ± 0.002°
• Cell volume: 1806.84 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No