Information card for entry 4069952

Structure parameters

• Formula: C55 H47 Cl3 P2 Ru
• Calculated formula: C55 H47 Cl3 P2 Ru
• SMILES: [Ru]1234(Cl)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([cH]4[cH]3[cH]2[cH]15)C(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Synthesis of Monosubstituted Cyclopentadienyl Ruthenium Complexes from the Reactions of 6-Substituted Fulvenes with RuHCl(PPh3)3
• Authors of publication: Tse, Sunny Kai San; Guo, Tongxun; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5529
• a: 10.48 ± 0.0003 Å
• b: 14.2855 ± 0.0004 Å
• c: 16.7794 ± 0.0003 Å
• α: 91.329 ± 0.002°
• β: 98.864 ± 0.002°
• γ: 111.207 ± 0.002°
• Cell volume: 2305.48 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No