Information card for entry 7247260

Structure parameters

• Formula: C28 H24 Cl6 N4 Ru
• Calculated formula: C28 H20 Cl6 N4 Ru
• Title of publication: Ruthenium complexes of 1,4-diazabutadiene ligands with a cis-RuCl2 moiety for catalytic acceptorless dehydrogenation of alcohols: DFT evidence of chemically non-innocent ligand participation
• Authors of publication: Mukherjee, Aparajita; Datta, Sayanti; Richmond, Michael G.; Bhattacharya, Samaresh
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 36
• Pages of publication: 25660 - 25672
• a: 7.2857 ± 0.0009 Å
• b: 13.9992 ± 0.0017 Å
• c: 14.5426 ± 0.0018 Å
• α: 78.661 ± 0.008°
• β: 89.453 ± 0.008°
• γ: 84.435 ± 0.008°
• Cell volume: 1447.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2127
• Residual factor for significantly intense reflections: 0.1302
• Weighted residual factors for significantly intense reflections: 0.4114
• Weighted residual factors for all reflections included in the refinement: 0.4469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.348
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No