Information card for entry 7013343

Structure parameters

• Formula: C57 H54 F6 O9 P4 Ru S2
• Calculated formula: C57 H54 F6 O9 P4 Ru S2
• SMILES: c1([P]2(c3ccccc3)C(=C)[P](c3ccccc3)(c3ccccc3)[Ru]32([OH2])([OH2])[P](c2ccccc2)(c2ccccc2)C(=C)[P]3(c2ccccc2)c2ccccc2)ccccc1.FC(F)(F)S(=O)(=O)[O-].CC(=O)C.FC(F)(F)S(=O)(=O)[O-]
• 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: 15.043 ± 0.002 Å
• b: 23.607 ± 0.004 Å
• c: 15.831 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5621.9 ± 1.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No