Information card for entry 4077068

Structure parameters

• Formula: C56 H42 Cl7 F6 N2 O P3 Ru
• Calculated formula: C56 H42 Cl7 F6 N2 O P3 Ru
• SMILES: [Ru]1234(Cl)([P](c5ccccc5)(c5ccccc5)c5ccc6ccccc6c5[C]53c3ccccc3C=C[C]4=5P(=[O]1)(c1ccccc1)c1ccccc1)[n]1ccccc1c1[n]2cccc1.ClC(Cl)Cl.ClC(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Formation of Ruthenium(II)−Bis(phosphine) Monoxide Complexes from the Bis(phosphine) Precursors: BINAP-Monoxide (BINAPO) as a Six-Electron (P,O,η2-Naphthyl) Donor
• Authors of publication: Cyr, Paul W.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 4672
• a: 13.2409 ± 0.0003 Å
• b: 20.0499 ± 0.0005 Å
• c: 20.387 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5412.3 ± 0.3 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections: 1.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No