Information card for entry 4077924

Structure parameters

• Formula: C75 H65 O6 P3 Ru3 Se4
• Calculated formula: C75 H64 O6 P3 Ru3 Se4
• SMILES: [Ru]12([Se](c3ccccc3)[Ru]3([P](c4occc4)(c4occc4)[Ru]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([Se]3c1ccccc1)([Se]2c1ccccc1)C#[O])(C#[O])C#[O])([Se]c1ccccc1)C#[O].Cc1ccccc1.Cc1ccccc1
• 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: 14.635 ± 0.003 Å
• b: 18.585 ± 0.003 Å
• c: 50.286 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13677 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No