Information card for entry 4067348

Structure parameters

• Formula: C36.5 H38.5 O2.5 P Ru
• Calculated formula: C36.5 H38 O2.5 P Ru
• SMILES: [Ru]1234567([P](c8ccccc8)(c8ccccc8)c8ccccc8[CH]1=[C]2(/C=C/C(C)(C)C=C)C3C(=O)OCC)[cH]1[cH]4[cH]5[cH]6[cH]71.OC
• Title of publication: Carbon−Carbon Bond Formation between Furyl and Triphenylphosphine Ligands in Ruthenium Complexes
• Authors of publication: Huang, Yu-Hao; Huang, Wen-Wu; Lin, Ying-Chih; Huang, Shou-Ling
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 38
• a: 10.4469 ± 0.0001 Å
• b: 26.1761 ± 0.0004 Å
• c: 12.5727 ± 0.0002 Å
• α: 90°
• β: 111.436 ± 0.001°
• γ: 90°
• Cell volume: 3200.29 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No