Information card for entry 4077923

Structure parameters

• Formula: C43 H43 Cl2 O3 P3 Ru3 S6
• Calculated formula: C43 H39 Cl2 O3 P3 Ru3 S6
• Title of publication: Reactivity of Triruthenium Furyne and Thiophyne Clusters: Multiple Additions of Thiolato and Selenolato Ligands through Oxidative Addition of S‒H and Se‒H Bonds
• Authors of publication: Hossain, Md. Iqbal; Sikder, Md. Delwar H.; Ghosh, Shishir; Kabir, Shariff E.; Hogarth, Graeme; Salassa, Luca
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2546
• a: 16.842 ± 0.002 Å
• b: 15.2144 ± 0.0019 Å
• c: 18.792 ± 0.002 Å
• α: 90°
• β: 101.997 ± 0.002°
• γ: 90°
• Cell volume: 4710.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No