Information card for entry 4311841

Structure parameters

• Common name: triruthenium dodecacarbonyl
• Chemical name: triruthenium dodecacarbonyl
• Formula: C12 O12 Ru3
• Calculated formula: C12 O12 Ru3
• SMILES: [Ru]1([Ru]([Ru]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: High Pressure Study of Ru3(CO)12 by X-ray Diffraction, Raman, and Infrared Spectroscopy
• Authors of publication: Carla Slebodnick; Jing Zhao; Ross Angel; Brian E. Hanson; Yang Song; Zhenxian Liu; Russell J. Hemley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5245 - 5252
• a: 7.4412 ± 0.001 Å
• b: 13.628 ± 0.002 Å
• c: 13.183 ± 0.002 Å
• α: 90°
• β: 100.132 ± 0.01°
• γ: 90°
• Cell volume: 1316 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 5800000 kPa
• Ambient diffracton pressure: 5800000 kPa
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation probe: x-ray
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No