Information card for entry 7037778

Structure parameters

• Formula: C43.5 H36.5 B F4 N2.5 P Ru
• Calculated formula: C43.5 H36.5 B F4 N2.5 P Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([cH]6[cH]4[cH]3[cH]2[cH]16)=c1n(cccc1)C(=C5c1ccccc1)[n+]1ccccc1.n1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.
• Authors of publication: Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1717 - 1726
• a: 9.6081 ± 0.0008 Å
• b: 17.944 ± 0.0007 Å
• c: 21.3274 ± 0.001 Å
• α: 99.508 ± 0.004°
• β: 101.789 ± 0.006°
• γ: 90.366 ± 0.005°
• Cell volume: 3546.9 ± 0.4 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No