Information card for entry 1543552

Structure parameters

• Formula: C28 H38 Cl2 N2 O Ru
• Calculated formula: C28 H38 Cl2 N2 O Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(CCCCCC)C=CN1c1c(cc(cc1C)C)C
• Title of publication: Monomeric and dendritic second generation Grubbs- and Hoveyda-Grubbs-type catalysts for olefin metathesis
• Authors of publication: Niels J.M. Pijnenburg; Eder Tomas-Mendivil; Kimberley E. Mayland; Henk Kleijn; Martin Lutz; Anthony L. Spek; Gerard van Koten; Robertus J.M. Klein Gebbink
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 163 - 173
• a: 15.06929 ± 0.00004 Å
• b: 12.7795 ± 0.0002 Å
• c: 16.1807 ± 0.0002 Å
• α: 90°
• β: 104.002 ± 0.001°
• γ: 90°
• Cell volume: 3023.46 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No