Information card for entry 4065057

Structure parameters

• Formula: C22 H22 F6 P2 Ru
• Calculated formula: C22 H22 F6 P2 Ru
• SMILES: [Ru]12345678([c]9([P+](C)(C)c%10ccccc%10)[cH]1[cH]2[c]13[c]49cccc1)[cH]1[cH]5[cH]6[cH]7[cH]81.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6
• Authors of publication: Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6098
• a: 10.8257 ± 0.0001 Å
• b: 13.0647 ± 0.0002 Å
• c: 15.7426 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2226.55 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No