Information card for entry 4083254

Structure parameters

• Formula: C40 H49 Cl2 N2 O4 P Ru
• Calculated formula: C40 H45 Cl2 N2 O4 P Ru
• SMILES: [Ru](Cl)(Cl)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=C1C=C(c2ccccc12)c1ccccc1)[P](OC)(OC)OC.OC
• 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: 9.0518 ± 0.0019 Å
• b: 25.921 ± 0.005 Å
• c: 16.471 ± 0.003 Å
• α: 90°
• β: 94.024 ± 0.005°
• γ: 90°
• Cell volume: 3855.1 ± 1.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No