Information card for entry 7062587

Structure parameters

• Formula: C75 H72 Cl4 N4 O P2 Ru2
• Calculated formula: C68 H62 Cl3 N4 P2 Ru2
• SMILES: [Ru]123([Cl][Ru]4([Cl]1)([Cl]2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N](=CC=[N]4c1ccc(C)cc1)c1ccc(cc1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N](=CC=[N]3c1ccc(C)cc1)c1ccc(C)cc1
• Title of publication: Di-ruthenium complexes of 1,4-diazabutadiene ligands: synthesis, characterization and utilization as catalyst precursors for the oxidative coupling of amines to imines in air
• Authors of publication: Saha, Rumpa; Mukherjee, Aparajita; Bhattacharya, Samaresh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 12709 - 12717
• a: 32.5574 ± 0.0015 Å
• b: 17.2458 ± 0.0006 Å
• c: 26.4277 ± 0.001 Å
• α: 90°
• β: 112.892 ± 0.003°
• γ: 90°
• Cell volume: 13669.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No