Information card for entry 4067451

Structure parameters

• Formula: C40 H32 O10 Os3 P2 S2
• Calculated formula: C40 H32 O10 Os3 P2 S2
• SMILES: [Os]12([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])([P](CCSCCSCC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, Characterization, and Novel Fluxional Mechanisms of Triosmium Clusters Containing the Highly Flexible Ligand Ph2PC2H4SC2H4SC2H4PPh2(PSSP)
• Authors of publication: Persson, Roger; Stchedroff, Marc J.; Uebersezig, Bettina; Gobetto, Roberto; Steed, Jonathan W.; Prince, Paul D.; Monari, Magda; Nordlander, Ebbe
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 2223
• a: 11.8958 ± 0.0005 Å
• b: 18.4288 ± 0.0007 Å
• c: 19.8714 ± 0.0008 Å
• α: 90°
• β: 100.883 ± 0.001°
• γ: 90°
• Cell volume: 4278 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.72
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No