Information card for entry 4069506

Structure parameters

• Formula: C37 H47 Cl6 N2 P Ru
• Calculated formula: C37 H47 Cl6 N2 P Ru
• SMILES: C(=N\[P](c1ccccc1)(c1ccccc1)[Ru]12345([cH]6[c]5([cH]4[cH]3[c]2([cH]16)C)C(C)C)(Cl)Cl)(\c1ccccc1)N(C(C)C)C(C)C.C(Cl)Cl.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: 32.206 ± 0.002 Å
• b: 12.2744 ± 0.0008 Å
• c: 21.6673 ± 0.0014 Å
• α: 90°
• β: 113.36 ± 0.006°
• γ: 90°
• Cell volume: 7863.2 ± 0.9 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• 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: 0.0814
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No