Information card for entry 4306049

Structure parameters

• Chemical name: [(k3-dapdoH)RuCOCl(PPh3)2]PF6
• Formula: C46 H40 F6 N3 O4 P3 Ru
• Calculated formula: C46 H40 F6 N3 O4 P3 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([N](O)=C(C)c3[n]1c(ccc3)C(=N2=O)C)C#[O].[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Reactivity of the Oxime/Oximato Group in Ruthenium(II) Complexes
• Authors of publication: Sanjay Kumar Singh; Sanjeev Sharma; Sudhakar Dhar Dwivedi; Ru-Qiang Zou; Qiang Xu; Daya Shankar Pandey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11942 - 11949
• a: 15.919 ± 0.002 Å
• b: 24.2481 ± 0.0016 Å
• c: 24.8093 ± 0.0016 Å
• α: 90 ± 0.006°
• β: 106.15°
• γ: 90 ± 0.008°
• Cell volume: 9198.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No