Information card for entry 4345832

Structure parameters

• Formula: C28 H25 Cl5 F6 N5 P Ru
• Calculated formula: C28 H25 Cl5 F6 N5 P Ru
• SMILES: [Ru]12(Cl)([n]3c(cccc3)c3[n]1c(c1[n]2cccc1)ccc3)([NH2]c1ccc(cc1)Cl)[NH2]c1ccc(Cl)cc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Role of Mediator and Effects of Temperature on ortho-C-N Bond Fusion Reactions of Aniline Using Ruthenium Templates: Isolation and Characterization of New Ruthenium Complexes of the in-Situ-Generated Ligands.
• Authors of publication: Roy, Suman K.; Sengupta, Debabrata; Rath, Santi Prasad; Saha, Tanushri; Samanta, Subhas; Goswami, Sreebrata
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 4966 - 4977
• a: 22.765 ± 0.006 Å
• b: 19.288 ± 0.006 Å
• c: 7.634 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3352 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No