Information card for entry 4124386

Structure parameters

• Formula: C37 H28 B F9 N P Ru
• Calculated formula: C37 H28 B F9 N P Ru
• SMILES: [B](F)(F)(F)[F-].[cH]12[cH]3[cH]4[cH]5[cH]1[Ru]12345(c2cccc[n+]2C(C=1c1ccc(cc1)C(F)(F)F)(F)F)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Outer-Sphere Electrophilic Fluorination of Organometallic Complexes.
• Authors of publication: Milner, Lucy M.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 33
• Pages of publication: 10753 - 10759
• a: 14.5269 ± 0.0002 Å
• b: 12.30582 ± 0.00014 Å
• c: 19.9237 ± 0.0003 Å
• α: 90°
• β: 113.843 ± 0.0017°
• γ: 90°
• Cell volume: 3257.69 ± 0.09 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No