Information card for entry 7013344

Structure parameters

• Formula: C52 H46 F6 O7 P4 Ru S2
• Calculated formula: C52 H46 F6 O7 P4 Ru S2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Ru]21([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(OS(=O)(=O)C(F)(F)F)[OH2].C(F)(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: 22.109 ± 0.003 Å
• b: 11.4033 ± 0.0012 Å
• c: 22.7 ± 0.003 Å
• α: 90°
• β: 114.936 ± 0.015°
• γ: 90°
• Cell volume: 5189.5 ± 1.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No