Information card for entry 4082608

Structure parameters

• Formula: C13 H14 F5 N P Rh
• Calculated formula: C13 H14 F5 N P Rh
• SMILES: c1(nc(c([c]2([c]1(F)[Rh]13452([cH]2[cH]5[cH]4[cH]3[cH]12)[P](C)(C)C)F)F)F)F
• Title of publication: Photochemical Reactions of Fluorinated Pyridines at Half-Sandwich Rhodium Complexes: Competing Pathways of Reaction.
• Authors of publication: Procacci, Barbara; Blagg, Robin J.; Perutz, Robin N.; Rendón, Nuria; Whitwood, Adrian C.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 45 - 52
• a: 10.014 ± 0.0014 Å
• b: 12.8973 ± 0.0017 Å
• c: 10.9535 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1414.7 ± 0.3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No