Information card for entry 7701703

Structure parameters

• Formula: C54 H48 Cl5 N2 O3 P Ru
• Calculated formula: C54 H48 Cl5 N2 O3 P Ru
• Title of publication: Electronic effects in mixed N-heterocyclic carbene/phosphite indenylidene ruthenium metathesis catalysts.
• Authors of publication: Bidal, Yannick D.; Urbina-Blanco, César A; Poater, Albert; Cordes, David B.; Slawin, Alexandra M. Z.; Cavallo, Luigi; Cazin, Catherine S. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11326 - 11337
• a: 10.688 ± 0.003 Å
• b: 30.998 ± 0.009 Å
• c: 15.794 ± 0.005 Å
• α: 90°
• β: 93.633 ± 0.008°
• γ: 90°
• Cell volume: 5222 ± 3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.1634
• Residual factor for significantly intense reflections: 0.1306
• Weighted residual factors for significantly intense reflections: 0.3006
• Weighted residual factors for all reflections included in the refinement: 0.318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No