Information card for entry 4031365

Structure parameters

• Formula: C33 H52 Cl2 O6 P2 Ru
• Calculated formula: C33 H52 Cl2 O6 P2 Ru
• SMILES: [Ru](Cl)(Cl)(=C1C=C(c2ccccc12)c1ccccc1)([P](OC(C)C)(OC(C)C)OC(C)C)[P](OC(C)C)(OC(C)C)OC(C)C
• Title of publication: Ruthenium indenylidene "1(st) generation" olefin metathesis catalysts containing triisopropyl phosphite.
• Authors of publication: Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2015
• Journal volume: 11
• Pages of publication: 1520 - 1527
• a: 13.067 ± 0.002 Å
• b: 15.91 ± 0.002 Å
• c: 37.178 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7729 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No