Information card for entry 7013345

Structure parameters

• Formula: C54 H50 B2 F8 N2 P4 Ru
• Calculated formula: C54 H50 B2 F8 N2 P4 Ru
• SMILES: C(C)#[N][Ru]12([N]#CC)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Syntheses, characterisation and some ligand substitution chemistry of Ru(II)‒diphosphine triflate complexes
• Authors of publication: Jamie F. Bickley; Annemarie A. La Pensée; Simon J. Higgins; Clare A. Stuart
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4663 - 4668
• a: 13.7375 ± 0.0017 Å
• b: 19.564 ± 0.002 Å
• c: 20.201 ± 0.002 Å
• α: 90°
• β: 95.27 ± 0.014°
• γ: 90°
• Cell volume: 5406.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.628
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No