Information card for entry 4068454

Structure parameters

• Formula: C31 H28 Cl O7 P Ru
• Calculated formula: C31 H28 Cl O7 P Ru
• SMILES: [Ru]1234(Cl)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([cH]5[c]4([c]3([cH]2[c]15C(=O)OC)C(=O)OC)CC(=O)OC)C#[O]
• Title of publication: Stable Cationic and Neutral Ruthenabenzenes
• Authors of publication: Clark, George R.; O’Neale, Tamsin R.; Roper, Warren R.; Tonei, Deborah M.; Wright, L. James
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 567
• a: 10.4447 ± 0.0002 Å
• b: 10.9505 ± 0.0001 Å
• c: 13.7417 ± 0.0002 Å
• α: 77.438 ± 0.001°
• β: 86.789 ± 0.001°
• γ: 69.645 ± 0.001°
• Cell volume: 1437.95 ± 0.04 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0228
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No