Information card for entry 4069508

Structure parameters

• Formula: C29 H30 Cl2 N P Ru
• Calculated formula: C29 H30 Cl2 N P Ru
• SMILES: C(=N\[P](c1ccccc1)(c1ccccc1)[Ru]12345([c]6(C)[cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)(Cl)Cl)/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: 13.047 ± 0.002 Å
• b: 20.883 ± 0.004 Å
• c: 22.913 ± 0.004 Å
• α: 97.461 ± 0.008°
• β: 95.024 ± 0.008°
• γ: 103.565 ± 0.008°
• Cell volume: 5972.1 ± 1.8 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: 0.0691
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No