Information card for entry 4069509

Structure parameters

• Formula: C35 H34 Cl2 N P Ru
• Calculated formula: C35 H34 Cl2 N P Ru
• SMILES: C(=N[P](c1ccccc1)(c1ccccc1)[Ru]12345([cH]6[cH]1[c]2([cH]3[cH]4[c]56C(C)C)C)(Cl)Cl)(c1ccccc1)c1ccccc1
• 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: 13.3821 ± 0.0007 Å
• b: 12.0395 ± 0.0006 Å
• c: 18.9756 ± 0.001 Å
• α: 90°
• β: 105.239 ± 0.002°
• γ: 90°
• Cell volume: 2949.7 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No