Information card for entry 4023429

Structure parameters

• Formula: C44 H57 Cl6 N3 O2 Ru
• Calculated formula: C44 H57 Cl6 N3 O2 Ru
• SMILES: [Ru]1(Cl)(=Cc2c([O]1C(C)C)ccc(NC(=O)C13CC4CC(CC(C1)C4)C3)c2)(Cl)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Aminocarbonyl Group Containing Hoveyda-Grubbs-Type Complexes: Synthesis and Activity in Olefin Metathesis Transformations
• Authors of publication: Diane Rix; Fréderic Caijo; Isabelle Lauret; Fabien Boeda; Hervé Clavier; Steven P. Nolan; Marc Mauduit
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4225 - 4228
• a: 11.2362 ± 0.0001 Å
• b: 12.6036 ± 0.0002 Å
• c: 16.0008 ± 0.0002 Å
• α: 92.786 ± 0.001°
• β: 90.877 ± 0.001°
• γ: 104.381 ± 0.001°
• Cell volume: 2191.5 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No