Information card for entry 7027778

Structure parameters

• Chemical name: Ru(OSO2CF3)(CN)(dppe)2
• Formula: C54 H48 F3 N O3 P4 Ru S
• Calculated formula: C54 H48 F3 N O3 P4 Ru S
• SMILES: [Ru]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#N)([P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F
• Title of publication: Synthesis of the acidic dihydrogen complexes trans-[M(H2)(CN)L2]+ and trans-[M(H2)(CNH)L2]2+ where M = Fe, Ru, Os and L = dppm, dppe, dppp, depe, and dihydrogen substitution by the trifluoromethanesulfonate anion to give trans-[Ru(OTf )(CN)L2] or trans-[Ru(OTf )(CNH)L2]OTf †
• Authors of publication: Fong, Tina P.; Forde, Cameron E.; Lough, Alan J.; Morris, Robert H.; Rigo, Pierluigi; Rocchini, Eliana; Stephan, Tim
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 4475
• a: 16.6236 ± 0.0005 Å
• b: 17.0227 ± 0.0006 Å
• c: 18.064 ± 0.0008 Å
• α: 90°
• β: 91.978 ± 0.005°
• γ: 90°
• Cell volume: 5108.7 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.1241
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No