Information card for entry 4069505

Structure parameters

• Formula: C25 H29 N2 P
• Calculated formula: C25 H29 N2 P
• SMILES: C(=N\P(c1ccccc1)c1ccccc1)(\c1ccccc1)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: 11.117 ± 0.0018 Å
• b: 14.1737 ± 0.0015 Å
• c: 15.3531 ± 0.0017 Å
• α: 90°
• β: 111.234 ± 0.013°
• γ: 90°
• Cell volume: 2254.9 ± 0.5 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No