Information card for entry 4075946

Structure parameters

• Formula: C35 H42 Cl2 N2 O Ru
• Calculated formula: C35 H42 Cl2 N2 O Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N([C@@H]2CC=CC[C@@H]2N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N([C@H]2CC=CC[C@H]2N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Structure of N-Heterocyclic Carbene Complexes with Tethered Olefinic Groups: Application of the Ruthenium Catalyst in Olefin Metathesis
• Authors of publication: Weigl, Kerstin; Köhler, Katrin; Dechert, Sebastian; Meyer, Franc
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 4049
• a: 9.1068 ± 0.0007 Å
• b: 11.639 ± 0.0009 Å
• c: 15.9346 ± 0.0012 Å
• α: 89.87 ± 0.006°
• β: 79.381 ± 0.006°
• γ: 74.296 ± 0.006°
• Cell volume: 1596.1 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No