Information card for entry 7018670

Structure parameters

• Formula: C39 H37.5 Cl2 O2 P Ru
• Calculated formula: C39 H37.5 Cl2 O2 P Ru
• Title of publication: New ruthenium metathesis catalysts with chelating indenylidene ligands: synthesis, characterization and reactivity.
• Authors of publication: Kabro, Anzhelika; Ghattas, Ghazi; Roisnel, Thierry; Fischmeister, Cédric; Bruneau, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 3695 - 3700
• a: 9.3991 ± 0.0008 Å
• b: 14.0465 ± 0.0012 Å
• c: 16.2657 ± 0.0015 Å
• α: 104.16 ± 0.004°
• β: 95.607 ± 0.004°
• γ: 108.807 ± 0.004°
• Cell volume: 1934.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No