Information card for entry 7118516

Structure parameters

• Formula: C55 H46 F21 N14 O3 P3 Ru2 S
• Calculated formula: C55 H46 F21 N14 O3 P3 Ru2 S
• SMILES: [Ru]1([n]2ccccc2N2C=1N(c1ccc(c3cc4[n]5[Ru]67([n]8c(c5c3)cccc8)([n]3c4cccc3)[n]3c(cccc3)c3[n]7c(c4[n]6cccc4)ccc3)cc1)C=C2)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: A remote coordination booster enhances the catalytic efficiency by accelerating the generation of an active catalyst.
• Authors of publication: Gupta, Suraj K.; Choudhury, Joyanta
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 16
• Pages of publication: 3384 - 3387
• a: 8.7665 ± 0.0007 Å
• b: 12.4009 ± 0.0011 Å
• c: 37.66 ± 0.003 Å
• α: 81.692 ± 0.004°
• β: 84.839 ± 0.004°
• γ: 78.866 ± 0.004°
• Cell volume: 3966.8 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1087
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No