Information card for entry 7018671

Structure parameters

• Formula: C41 H41 Cl2 O2 P Ru
• Calculated formula: C41 H41 Cl2 O2 P Ru
• SMILES: [Ru]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O](C(C)C)c2cc(cc3c2C=1C=C3c1c(C)cccc1C)OC(C)C
• 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: 11.309 ± 0.0003 Å
• b: 23.9659 ± 0.0007 Å
• c: 26.7843 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7259.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No