Information card for entry 4334746

Structure parameters

• Formula: C22 H15 O4 P Ru
• Calculated formula: C22 H15 O4 P Ru
• SMILES: [Ru]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Acrylic Acid Derivatives of Group 8 Metal Carbonyls: A Structural and Kinetic Study
• Authors of publication: Bo Li; Samuel J. Kyran; Andrew D. Yeung; Ashfaq A. Bengali; Donald J. Darensbourg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5438 - 5447
• a: 9.859 ± 0.007 Å
• b: 10.471 ± 0.008 Å
• c: 10.705 ± 0.008 Å
• α: 90.516 ± 0.009°
• β: 112.92 ± 0.008°
• γ: 94.052 ± 0.009°
• Cell volume: 1014.5 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No