Information card for entry 7118515

Structure parameters

• Formula: C44 H32 F18 N9 P3 Ru
• Calculated formula: C44 H32 F18 N9 P3 Ru
• SMILES: [Ru]1234([n]5c(cc(c6ccc(n7cc[n+](c7)c7ccccn7)cc6)cc5c5[n]1cccc5)c1[n]3cccc1)[n]1ccccc1c1[n]2c(c2[n]4cccc2)ccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 8.81 ± 0.003 Å
• b: 14.662 ± 0.005 Å
• c: 22.745 ± 0.007 Å
• α: 101.843 ± 0.009°
• β: 100.698 ± 0.008°
• γ: 101.743 ± 0.007°
• Cell volume: 2734.9 ± 1.6 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2019
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2466
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No