Information card for entry 4340419

Structure parameters

• Formula: C56 H55 F6 O11 P5 Ru S2
• Calculated formula: C56 H55 F6 O11 P5 Ru S2
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)CC[P]2(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)([P](O)(O)OC)C#[O].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: Highly electrophilic, 16-electron [Ru(P(OMe)(OH)(2))(dppe)(2)](2+) complex turns H(2)(g) into a strong acid and splits a Si-H bond heterolytically. Synthesis and structure of the novel phosphorous acid complex [Ru(P(OH)(3))(dppe)(2)](2+).
• Authors of publication: Nagaraja, C. M.; Nethaji, Munirathinam; Jagirdar, Balaji R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4145 - 4147
• a: 14.701 ± 0.008 Å
• b: 23.41 ± 0.012 Å
• c: 17.136 ± 0.009 Å
• α: 90°
• β: 91.14 ± 0.009°
• γ: 90°
• Cell volume: 5896 ± 5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 7
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1088
• 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