Information card for entry 4076885

Structure parameters

• Formula: C29 H37 F6 N6 P Ru
• Calculated formula: C29 H37 F6 N6 P Ru
• SMILES: [Ru]12([N](C(C)(C)C)=C(N1C(C)(C)C)c1ccccc1)([n]1ccccc1c1[n]2cccc1)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Access to Novel Ruthenium−Amidinate Complexes, (η6-arene)Ru(η2-amidinate)X and [Ru(η2-amidinate)(MeCN)4]+PF6-by Photochemical Displacement of the Benzene Ligand in (η6-C6H6)Ru(η2-amidinate)X
• Authors of publication: Hayashida, Taizo; Nagashima, Hideo
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3884
• a: 9.1744 ± 0.0005 Å
• b: 13.6993 ± 0.0007 Å
• c: 24.8932 ± 0.0017 Å
• α: 90°
• β: 94.395 ± 0.001°
• γ: 90°
• Cell volume: 3119.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0874
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No