Information card for entry 2013289

Structure parameters

• Chemical name: (η^6^-p-cymene)[(η^2^-diphenylphosphino-tetrafluroborate-P,F) (η^1^-diphenylphosphinoyl-tetrafluroborate-O)]ruthenium(II)
• Formula: C34 H34 B2 F8 O P2 Ru
• Calculated formula: C34 H34 B2 F8 O P2 Ru
• SMILES: [Ru]1([cH]23)([cH]24)([c]32C)([cH]23)([cH]32)([c]24C(C)C)([O]=P(c2ccccc2)(c2ccccc2)[F][B](F)(F)F)[P](c2ccccc2)(c2ccccc2)[F][B]([F]1)(F)F
• Title of publication: An arene‒ruthenium(II) complex containing novel hybrid phosphinofluoro ligands
• Authors of publication: Wen-Rui Yao; Ze-Hua Liu; Qian-Feng Zhang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m156 - m158
• a: 17.7179 ± 0.0013 Å
• b: 11.2784 ± 0.0008 Å
• c: 18.4455 ± 0.0013 Å
• α: 90°
• β: 112.41 ± 0.002°
• γ: 90°
• Cell volume: 3407.6 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0494
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes