Information card for entry 7712348

Structure parameters

• Formula: C22 H22 F6 I N8 P Ru
• Calculated formula: C22 H22 F6 I N8 P Ru
• SMILES: I[Ru]123([n]4c(N5C=1N(C)C=C5)cccc4N1C=2N(C=C1)C)[n]1c(N2C=CN(C)C=32)cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Base-free synthesis of benchtop stable Ru(III)-NHC complexes from RuCl3·3H2O and their use as precursors for Ru(II)-NHC complexes
• Authors of publication: Shahid, Nida; Singh, Rahul Kumar; Srivastava, Navdeep; Singh, Amrendra Kumar
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.0771 ± 0.0005 Å
• b: 10.9379 ± 0.0005 Å
• c: 16.8084 ± 0.0006 Å
• α: 90°
• β: 104.553 ± 0.004°
• γ: 90°
• Cell volume: 2682.97 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1579
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for significantly intense reflections: 0.3174
• Weighted residual factors for all reflections included in the refinement: 0.369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No