Information card for entry 4124387

Structure parameters

• Formula: C37 H29 B F8 N P Ru
• Calculated formula: C37 H29 B F8 N P Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]12345(c2cccc[n+]2[C@@H](C=1c1ccc(cc1)C(F)(F)F)F)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• 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: 9.34095 ± 0.00017 Å
• b: 17.7554 ± 0.0003 Å
• c: 9.85967 ± 0.00018 Å
• α: 90°
• β: 102.946 ± 0.0018°
• γ: 90°
• Cell volume: 1593.68 ± 0.05 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No