Information card for entry 4067389

Structure parameters

• Formula: C82.5 H11 O10 Os3 P S
• Calculated formula: C82.5 H11 O10 Os3 P S
• SMILES: C(#[O])[Os]12(C#[O])(C#[O])[P](c3ccccc3)(c3ccccc3)C34C5c6c7c8c3[c]39[Os]1(C#[O])(C#[O])(C#[O])([Os]2(C#[O])(C#[O])(C#[O])C#[O])[c]13c2c8c3c7c7c8c6c6c5c5c%10c4c9c4c9c1c1c2c2c3c3c7c7c8c8c6c6c5c5c%10c4c4c9c9c1c1c2c3c2c7c3c8c6c6c5c4c4c9c1c2c3c64.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: 29.02 ± 0.0004 Å
• b: 29.02 ± 0.0004 Å
• c: 14.497 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12208.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No