Information card for entry 4065242

Structure parameters

• Common name: Cp*RuCl((2,6-Me2C6H3NC(Me))2CH)
• Formula: C31 H40 Cl N2 Ru
• Calculated formula: C31 H40 Cl N2 Ru
• SMILES: c1(c(cccc1C)C)N1C(C)=CC(C)=[N](c2c(cccc2C)C)[Ru]23451([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)Cl
• Title of publication: Modulating the Steric, Electronic, and Catalytic Properties of Cp* Ruthenium Half-Sandwich Complexes with β-Diketiminato Ligands
• Authors of publication: Phillips, Andrew D.; Thommes, Katrin; Scopelliti, Rosario; Gandolfi, Claudio; Albrecht, Martin; Severin, Kay; Schreiber, Dominique F.; Dyson, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6119
• a: 11.4115 ± 0.0013 Å
• b: 16.1565 ± 0.0007 Å
• c: 16.81 ± 0.002 Å
• α: 90°
• β: 115.569 ± 0.008°
• γ: 90°
• Cell volume: 2795.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No