Information card for entry 7110748

Structure parameters

• Chemical name: Octacarbonyl(1,3-diphenylbutadiene)(sulfido)triosmium
• Formula: C24 H14 O8 Os3 S
• Calculated formula: C24 H14 O8 Os3 S
• SMILES: [Os]12345([Os]6([Os]1([S]26)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([CH2]=[C]3([CH]4=[CH]5c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Reductive coupling of alkynes to give ruthenium and osmium clusters of the type [M3(1,3-diene)(μ3-X)(CO)8] containing μ-η2,η2- or η4-1,3-diene
• Authors of publication: Ali, Shahbano; Deeming, Antony J.; Hogarth, Graeme; Mehta, Nikesh A.; Steed, Jonathan W.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 2541
• a: 9.406 ± 0.002 Å
• b: 10.615 ± 0.002 Å
• c: 13.885 ± 0.003 Å
• α: 91.58 ± 0.03°
• β: 108.82 ± 0.03°
• γ: 104.51 ± 0.03°
• Cell volume: 1261.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections: 0.1453
• Weighted residual factors for significantly intense reflections: 0.1344
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No