Information card for entry 4079377

Structure parameters

• Formula: C54 H51 Cl2 N2 O3 P Ru
• Calculated formula: C54 H51 Cl2 N2 O3 P Ru
• SMILES: [Ru](Cl)(Cl)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=C1C=C(c2ccccc12)c1ccccc1)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Synthesis and Reactivity of Ruthenium Phosphite Indenylidene Complexes
• Authors of publication: Bantreil, Xavier; Poater, Albert; Urbina-Blanco, César A.; Bidal, Yannick D.; Falivene, Laura; Randall, Rebecca A. M.; Cavallo, Luigi; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7415
• a: 9.127 ± 0.002 Å
• b: 11.772 ± 0.003 Å
• c: 21.891 ± 0.006 Å
• α: 81.229 ± 0.008°
• β: 86.571 ± 0.009°
• γ: 76.206 ± 0.008°
• Cell volume: 2256.8 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No