Information card for entry 4306050

Structure parameters

• Chemical name: [(k3-dapd)RuCO(PPh3)2]
• Formula: C46 H39 N3 O3 P2 Ru
• Calculated formula: C46 H39 N3 O3 P2 Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3c(C(=N1=O)C)cccc3C(=N2=O)C)C#[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: 9.837 ± 0.002 Å
• b: 23.636 ± 0.005 Å
• c: 17.079 ± 0.003 Å
• α: 90°
• β: 90.48 ± 0.03°
• γ: 90°
• Cell volume: 3970.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.433
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No