Information card for entry 7063610

Structure parameters

• Formula: C75 H55.8 Cl2 N6 O8.9 P2 Ru2
• Calculated formula: C75 H54 Cl2 N6 O8 P2 Ru2
• Title of publication: Ancillary ligand-induced variation in electronic spectral and catalytic properties of heteroleptic ONO-pincer complexes of ruthenium
• Authors of publication: Dhibar, Papu; Chandra, Anushri; Paul, Piyali; Bhattacharya, Samaresh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 2674 - 2684
• a: 11.011 ± 0.009 Å
• b: 16.07 ± 0.02 Å
• c: 37.32 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6604 ± 12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No