Information card for entry 4065155

Structure parameters

• Formula: C105 H24 Cl2 O20 Os6 P2
• Calculated formula: C105 H24 Cl2 O20 Os6 P2
• SMILES: C(#[O])[Os]12(C#[O])(C#[O])[P](c3ccccc3)(c3ccccc3)C34C5=C6c7c8C3C3C9c%10c4c4[C]%115=[C]5(c%12c6c6c7c7c%13c%14C%15=C%16C%17(C=3c8c7%15)c3c7c8c%15c(c%10c%10c4c4c%18c%19c%20c(c%12c%12c6c%13c6c%12c%20c%12c%13c6c%14[C]6(c%13c8c(c%19%12)c%15c%10%18)=[C]%167[Os]76(C#[O])(C#[O])(C#[O])[Os](C#[O])(C#[O])(C#[O])([P]%17(c6ccccc6)c6ccccc6)[Os]7(C#[O])(C#[O])(C#[O])C#[O])c54)c93)[Os]1%11(C#[O])(C#[O])(C#[O])[Os]2(C#[O])(C#[O])(C#[O])C#[O].C(Cl)Cl
• Title of publication: Synthesis of the Diphosphino‒Fullerene 1,2,4,15-(PPh2)2(H)2C60and Its Complexation with Triosmium Carbonyl Clusters
• Authors of publication: Wu, Yi-Ying; Yeh, Wen-Yann
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4792
• a: 15.3318 ± 0.0005 Å
• b: 17.5972 ± 0.0005 Å
• c: 19.1755 ± 0.0006 Å
• α: 69.011 ± 0.002°
• β: 88.52 ± 0.002°
• γ: 80.585 ± 0.002°
• Cell volume: 4762.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No