Information card for entry 4067390

Structure parameters

• Formula: C84 H11 O11 Os3 P S2
• Calculated formula: C84 H11 O11 Os3 P S2
• SMILES: [Os]1([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)C12c3c4c5c6C1c1c7c8c2c2c3c3c9c4c4c5c5c%10c6c1c1c6c7c7c8c8c2c2c3c3c9c9c4c4c5c5c%10c1c1c6c6c7c7c8c2c2c8c7c6c6c1c5c1c6c8c(c32)c9c41)(C#[O])(C#[O])C#[O].S=C=S
• Title of publication: Complexation and C−H/C−P Bond Activation of the (PPh2)C60H Molecule on Triosmium Carbonyl Clusters
• Authors of publication: Yeh, Wen-Yann; Tsai, Kune-You
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 604
• a: 13.5272 ± 0.0002 Å
• b: 14.767 ± 0.0003 Å
• c: 15.3027 ± 0.0004 Å
• α: 100.78 ± 0.001°
• β: 99.911 ± 0.001°
• γ: 107.088 ± 0.001°
• Cell volume: 2785.1 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1355
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1867
• 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