Information card for entry 7224921

Structure parameters

• Formula: C42 H40 Cl2 N2 O3 P2 Ru
• Calculated formula: C42 H40 Cl2 N2 O3 P2 Ru
• SMILES: c12c(cccc1)C=[N](O)[Ru]1([N](=Cc3c(cccc3)[P]1(c1ccccc1)c1ccccc1)O)([P]2(c1ccccc1)c1ccccc1)(Cl)Cl.C1CCCO1
• Title of publication: Synthesis and catalytic applications of ruthenium(II)-phosphino-oxime complexes
• Authors of publication: Francos, Javier; Menendez-Rodriguez, Lucia; Tomás-Mendivil, Eder; Crochet, Pascale; Cadierno, Victorio
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.6726 ± 0.0005 Å
• b: 11.5721 ± 0.0008 Å
• c: 17.6589 ± 0.0009 Å
• α: 83.597 ± 0.005°
• β: 78.712 ± 0.004°
• γ: 63.038 ± 0.006°
• Cell volume: 1905.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No