Information card for entry 4331602

Structure parameters

• Formula: C41 H34 Cl F6 N4 O7 P2 Rh S2
• Calculated formula: C41 H34 Cl F6 N4 O7 P2 Rh S2
• SMILES: FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].[O]#C[Rh]1(Cl)[P](c2n(cc[n+]2c2cccc(n3c([n+](cc3)C)[P]1(c1ccccc1)c1ccccc1)c2)C)(c1ccccc1)c1ccccc1
• Title of publication: P(CH)P Pincer Rhodium(I) Complexes: The Key Role of Electron-Poor Imidazoliophosphine Extremities
• Authors of publication: Cécile Barthes; Christine Lepetit; Yves Canac; Carine Duhayon; Davit Zargarian; Remi Chauvin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 48 - 58
• a: 12.7519 ± 0.0012 Å
• b: 13.7106 ± 0.0013 Å
• c: 13.8297 ± 0.0013 Å
• α: 77.39 ± 0.004°
• β: 79.713 ± 0.004°
• γ: 68.869 ± 0.004°
• Cell volume: 2187.7 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No