Information card for entry 7102121

Structure parameters

• Formula: C14 H27 F4 N P3 Rh
• Calculated formula: C14 H27 F4 N P3 Rh
• SMILES: c1(c(c(F)nc(c1F)F)F)[Rh]([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: Sequential C-F activation and borylation of fluoropyridines via intermediate Rh(I) fluoropyridyl complexes: a multinuclear NMR investigation.
• Authors of publication: Lindup, Richard J; Marder, Todd B; Perutz, Robin N; Whitwood, Adrian C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3664 - 3666
• a: 12.1172 ± 0.0006 Å
• b: 9.2891 ± 0.0005 Å
• c: 18.3352 ± 0.0009 Å
• α: 90°
• β: 102.801 ± 0.001°
• γ: 90°
• Cell volume: 2012.48 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No