Information card for entry 4073253

Structure parameters

• Formula: C47 H57.5 Cl3 O3.25 P4 Ru
• Calculated formula: C47 H57.5 Cl3 O3.25 P4 Ru
• SMILES: [Ru]1(Cl)(Cl)([P](C)(C)C)([P](C)(C)C)=CC(=CC(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].O.O.O.O
• Title of publication: Synthesis and Characterization of Stable Ruthenabenzenes Starting from HC⋮CCH(OH)C⋮CH
• Authors of publication: Zhang, Hong; Feng, Li; Gong, Lei; Wu, Liqiong; He, Guomei; Wen, Tingbin; Yang, Fangzu; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2705
• a: 11.776 ± 0.003 Å
• b: 20.801 ± 0.006 Å
• c: 20.544 ± 0.006 Å
• α: 90°
• β: 105.677 ± 0.005°
• γ: 90°
• Cell volume: 4845 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No