Information card for entry 4069951

Structure parameters

• Formula: C59.5 H48 Cl4 P2 Ru
• Calculated formula: C59.5 H47 Cl4 P2 Ru
• 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: 11.7631 ± 0.0011 Å
• b: 14.3743 ± 0.0014 Å
• c: 15.1703 ± 0.0014 Å
• α: 92.096 ± 0.001°
• β: 107.458 ± 0.001°
• γ: 95.112 ± 0.001°
• Cell volume: 2431.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No