Information card for entry 4069513

Structure parameters

• Formula: C30 H41 Cl4 N2 P Ru
• Calculated formula: C30 H41 Cl4 N2 P Ru
• SMILES: C(=N\[P](c1ccccc1)(c1ccccc1)[Ru]12345([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C)(Cl)Cl)/N(C(C)C)C(C)C.C(Cl)Cl
• Title of publication: Crucial Role of the Amidine Moiety in Methylenamino Phosphine-Type Ligands for the Synthesis of Tethered η6-Arene-η1-PRuthenium(II) Complexes: Experimental and Theoretical Studies
• Authors of publication: Arquier, Damien; Vendier, Laure; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Bastin, Stéphanie; Igau, Alain
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 4945
• a: 10.1652 ± 0.0014 Å
• b: 11.161 ± 0.0016 Å
• c: 15.292 ± 0.002 Å
• α: 82.819 ± 0.016°
• β: 85.629 ± 0.016°
• γ: 71.34 ± 0.017°
• Cell volume: 1629.6 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.1724
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.251
• Weighted residual factors for all reflections included in the refinement: 0.2921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No