Information card for entry 4082609

Structure parameters

• Formula: C13 H15 F4 N P Rh
• Calculated formula: C13 H15 F4 N P Rh
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[RhH]2345(c1c(c(F)nc(c1F)F)F)[P](C)(C)C
• 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: 10.54836 ± 0.00014 Å
• b: 8.63903 ± 0.00011 Å
• c: 16.43266 ± 0.00019 Å
• α: 90°
• β: 106.883 ± 0.0013°
• γ: 90°
• Cell volume: 1432.93 ± 0.03 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No