Information card for entry 4066163

Structure parameters

• Formula: C40 H54 Ru3
• Calculated formula: C40 H39 Ru3
• Title of publication: Direct Arylation of a Cluster-Bound Alkyne Ligand with Benzene†
• Authors of publication: Takao, Toshiro; Moriya, Makoto; Kajigaya, Mana; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4770
• a: 17.418 ± 0.011 Å
• b: 18.059 ± 0.007 Å
• c: 11.485 ± 0.006 Å
• α: 90°
• β: 103.33 ± 0.05°
• γ: 90°
• Cell volume: 3515 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No