Information card for entry 1514685

Structure parameters

• Formula: C50 H33 F20 N O7 P Rh S
• Calculated formula: C50 H35 F20 N O7 P Rh S
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]234(OS(=O)(=O)c1ccc(cc1)C)[P]1(N2CCCC2)OC([C@@H]2[C@@H](C(c3c(c(c(c(c3F)F)F)F)F)(c3c(c(c(c(c3F)F)F)F)F)O1)OC(C)(C)O2)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]234(OS(=O)(=O)c1ccc(cc1)C)[P]1(N2CCCC2)OC([C@H]2[C@H](C(c3c(c(c(c(c3F)F)F)F)F)(c3c(c(c(c(c3F)F)F)F)F)O1)OC(C)(C)O2)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.
• Authors of publication: Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 2062 - 2070
• a: 11.7155 ± 0.0004 Å
• b: 12.1131 ± 0.0004 Å
• c: 18.2303 ± 0.0006 Å
• α: 70.901 ± 0.002°
• β: 89.025 ± 0.002°
• γ: 83.198 ± 0.002°
• Cell volume: 2426.82 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No