Information card for entry 4069507

Structure parameters

• Formula: C25 H29 Cl2 N2 P Ru
• Calculated formula: C25 H29 Cl2 N2 P Ru
• SMILES: C1(=N[P](c2ccccc2)(c2ccccc2)[Ru]23456([c]71[cH]2[cH]4[cH]6[cH]5[cH]37)(Cl)Cl)N(C(C)C)C(C)C
• 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: 9.2495 ± 0.0018 Å
• b: 20.802 ± 0.004 Å
• c: 12.514 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2407.8 ± 0.9 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No