Information card for entry 4067450

Structure parameters

• Formula: C52 H32 O22 Os6 P2 S2
• Calculated formula: C52 H32 O22 Os6 P2 S2
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)CCSCCSCC[P]([Os]2([Os]([Os]2(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(c2ccccc2)c2ccccc2)(C#[O])([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])(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: 13.5001 ± 0.0015 Å
• b: 16.0441 ± 0.0016 Å
• c: 16.7391 ± 0.0016 Å
• α: 112.96°
• β: 103.163 ± 0.003°
• γ: 105.503 ± 0.003°
• Cell volume: 2983.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2543
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No