Information card for entry 7106578

Structure parameters

• Formula: C36 H28 O6 P2 Ru S2
• Calculated formula: C39 H44 O11 P2 Ru S2
• SMILES: [Ru]12([P](c3c(S(=O)(=O)O1)cccc3)(c1ccccc1)c1ccccc1)([P](c1c(S(=O)(=O)O2)cccc1)(c1ccccc1)c1ccccc1)([OH2])[OH2].O=C(C)C.[OH3+].[OH3+]
• Title of publication: A ruthenium catalyst yielding crosslinked polyethylene
• Authors of publication: Laurence Piche; Jean-Christophe Daigle; Jerome Claverie
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7836
• a: 11.1056 ± 0.0003 Å
• b: 13.1727 ± 0.0004 Å
• c: 14.9965 ± 0.0004 Å
• α: 83.666 ± 0.001°
• β: 78.926 ± 0.001°
• γ: 65.226 ± 0.001°
• Cell volume: 1953.76 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No