Information card for entry 1514683

Structure parameters

• Formula: C44 H28 Cl3 F20 N O4 P Rh
• Calculated formula: C44 H30 Cl3 F20 N O4 P Rh
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]234(Cl)[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.C(Cl)Cl.[CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]234(Cl)[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.C(Cl)Cl
• 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: 11.5246 ± 0.0006 Å
• b: 12.6819 ± 0.0007 Å
• c: 17.2832 ± 0.0009 Å
• α: 68.867 ± 0.002°
• β: 84.99 ± 0.003°
• γ: 77.05 ± 0.003°
• Cell volume: 2296.1 ± 0.2 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: 0.0742
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No