Information card for entry 4080799

Structure parameters

• Formula: C45 H45 Cl2 N2 O P3 Ru Si
• Calculated formula: C45 H45 Cl2 N2 O P3 Ru Si
• SMILES: [CH]1(=[P]2n3ccc[n]3[Ru]12(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C.C(Cl)Cl
• Title of publication: Ambiphilic Reactivity of a Ruthenaphosphaalkenyl: Synthesis ofP-Pyrazolylphosphaalkene Complexes of Ruthenium(0)
• Authors of publication: Trathen, Nicola; Greenacre, Victoria K.; Crossley, Ian R.; Roe, S. Mark
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2501
• a: 10.8579 ± 0.0003 Å
• b: 19.3948 ± 0.0006 Å
• c: 20.9791 ± 0.0006 Å
• α: 84.03 ± 0.001°
• β: 84.873 ± 0.001°
• γ: 89.758 ± 0.001°
• Cell volume: 4376.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No