Information card for entry 4345834

Structure parameters

• Formula: C36 H26 N6 Ru
• Calculated formula: C36 H26 N6 Ru
• SMILES: [Ru]1234(n5c6c(n2c2c(n3c3ccccc3n1c1c5cccc1)cccc2)cccc6)Nc1c(cccc1)N4c1ccccc1
• 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: 11.487 ± 0.002 Å
• b: 15.713 ± 0.003 Å
• c: 17.077 ± 0.004 Å
• α: 86.04 ± 0.006°
• β: 72.079 ± 0.005°
• γ: 71.06 ± 0.005°
• Cell volume: 2772.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No