Information card for entry 4117173

Structure parameters

• Formula: C70 O9 Ru3 S2
• Calculated formula: C70 O9 Ru3 S2
• SMILES: [Ru]123([Ru]45([Ru]61(C17C85C54C43C32C61c1c2c3c3c6c4c4c5c5c9c8c8c7c7c1c1c%10c2c2c3c3c6c6c4c4c5c5c9c9c8c8c7c1c1c7c%10c2c2c3c3c6c4c4c5c5c9c8c1c1c7c2c3c4c51)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].C(=S)=S
• Title of publication: Ru3(CO)9(μ3-η2,η2,η2-C60): A Cluster Face-Capping, Arene-Like Complex of C60
• Authors of publication: Hsiu-Fu Hsu; John R. Shapley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 9192 - 9193
• a: 17.0389 ± 0.0003 Å
• b: 9.9887 ± 0.0001 Å
• c: 51.1596 ± 0.0007 Å
• α: 90°
• β: 91.352 ± 0.001°
• γ: 90°
• Cell volume: 8704.8 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections: 0.1617
• Weighted residual factors for significantly intense reflections: 0.145
• Goodness-of-fit parameter for all reflections: 1.194
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No