Information card for entry 7060681

Structure parameters

• Formula: C21 H28 Cl2 N2 O2 Ru
• Calculated formula: C21 H28 Cl2 N2 O2 Ru
• SMILES: [Ru]12345(Cl)(Cl)([n]6cn(c7c6cccc7)CC(OC)OC)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• Title of publication: Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium
• Authors of publication: Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 11075 - 11085
• a: 30.0916 ± 0.0015 Å
• b: 30.0916 ± 0.0015 Å
• c: 13.669 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10719.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No