Information card for entry 4076228

Structure parameters

• Formula: C22 H36 F6 P2 Ru
• Calculated formula: C22 H36 F6 P2 Ru
• SMILES: [RuH]1234567([P](CC[c]82[cH]7[cH]6[cH]5[cH]4[cH]38)(C2CCCCC2)C2CCCCC2)[CH2]=[CH2]1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reversible Olefin−Hydride Insertion in the Cationic Ruthenium Complexes [(η6-C6H5CH2CH2PR2)RuH(CH2CH2)]+
• Authors of publication: Umezawa-Vizzini, Kayo; Lee, T. Randall
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1448
• a: 18.584 ± 0.0006 Å
• b: 7.9942 ± 0.0003 Å
• c: 32.5174 ± 0.001 Å
• α: 90°
• β: 101.994 ± 0.001°
• γ: 90°
• Cell volume: 4725.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No