Information card for entry 4075179

Structure parameters

• Formula: C37 H39 Cl2 N3 Ru
• Calculated formula: C37 H39 Cl2 N3 Ru
• SMILES: [Ru]1(Cl)(Cl)([n]2cccc3cccc(C=1)c23)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1ccccc1
• 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: 9.5564 ± 0.0004 Å
• b: 10.2328 ± 0.0004 Å
• c: 18.3284 ± 0.0007 Å
• α: 99.718 ± 0.003°
• β: 103.196 ± 0.003°
• γ: 90.296 ± 0.003°
• Cell volume: 1718.16 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No