Information card for entry 4075180

Structure parameters

• Formula: C31 H33 Cl2 N3 Ru
• Calculated formula: C31 H33 Cl2 N3 Ru
• SMILES: C1(N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ru]1(=Cc2cccc3ccc[n]1c23)(Cl)Cl
• Title of publication: Structure and Activity Peculiarities of Ruthenium Quinoline and Quinoxaline Complexes: Novel Metathesis Catalysts
• Authors of publication: Barbasiewicz, Michał; Szadkowska, Anna; Bujok, Robert; Grela, Karol
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3599
• a: 28.1947 ± 0.0002 Å
• b: 17.6289 ± 0.0006 Å
• c: 16.2675 ± 0.0009 Å
• α: 90°
• β: 123.864 ± 0.002°
• γ: 90°
• Cell volume: 6714 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No