Information card for entry 4071546

Structure parameters

• Formula: C50.5 H54 B Cl Ru
• Calculated formula: C50.5 H40 B Cl Ru
• Title of publication: Reactions of Cp*RuCl(COD) with Alkynes: Isolation of Dinuclear Metallacyclopentatriene Complexes
• Authors of publication: Zhang, Li; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5122
• a: 11.9964 ± 0.0003 Å
• b: 17.8392 ± 0.0004 Å
• c: 19.5444 ± 0.0005 Å
• α: 96.154 ± 0.002°
• β: 101.26 ± 0.002°
• γ: 94.707 ± 0.002°
• Cell volume: 4055.66 ± 0.18 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: 0.0527
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No