Information card for entry 1514686

Structure parameters

• Formula: C54 H52 Co F20 N2 O7 P
• Calculated formula: C54 H52 Co F20 N2 O7 P
• SMILES: C([Co](C#[O])(C#[O])[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)#[O].CCCC[N+](CCCC)(CCCC)CCCC.C([Co](C#[O])(C#[O])[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)#[O].CCCC[N+](CCCC)(CCCC)CCCC
• 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: 13.4123 ± 0.0005 Å
• b: 14.8876 ± 0.0006 Å
• c: 16.7728 ± 0.0007 Å
• α: 94.268 ± 0.002°
• β: 90.34 ± 0.002°
• γ: 97.344 ± 0.002°
• Cell volume: 3312.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1172
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No