Information card for entry 4077920

Structure parameters

• Formula: C51 H41 Cl2 O7 P3 Ru3 S2
• Calculated formula: C51 H40 Cl2 O7 P3 Ru3 S2
• SMILES: [Ru]12([S](c3ccccc3)[Ru]3([Ru]([S]1c1ccccc1)([P]3(c1occc1)c1occc1)(C#[O])C#[O])([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])(C#[O])C#[O].C(Cl)Cl
• 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: 21.585 ± 0.003 Å
• b: 21.581 ± 0.003 Å
• c: 21.924 ± 0.003 Å
• α: 90°
• β: 93.659 ± 0.002°
• γ: 90°
• Cell volume: 10192 ± 2 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: 0.1661
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No