Information card for entry 7002705

Structure parameters

• Formula: C69 H58 Cl2 F3 O3 P3 Ru S
• Calculated formula: C69 H58 Cl2 F3 O3 P3 Ru S
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]2345(/C=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl
• Title of publication: Ruthenium alkynyl, carbene and alkenyl complexes containing pendant uracil groups: an investigation into the formation of alkenyl-phosphonio complexes
• Authors of publication: Cowley, Michael J.; Lynam, Jason M.; Moneypenny, Robert S.; Whitwood, Adrian C.; Wilson, Alastair J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9529 - 9542
• a: 10.2678 ± 0.0014 Å
• b: 14.522 ± 0.002 Å
• c: 20.112 ± 0.003 Å
• α: 82.415 ± 0.003°
• β: 88.372 ± 0.003°
• γ: 80.57 ± 0.003°
• Cell volume: 2932.4 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No