Information card for entry 7018592

Structure parameters

• Formula: C37 H26 Cl2 N4 O6 Pd2 S2
• Calculated formula: C37 H26 Cl2 N4 O6 Pd2 S2
• SMILES: [Pd]123([n]4ccccc4c4ccccc14)N1S(=O)(=O)c4ccccc4C1=[O][Pd]12([n]2ccccc2c2ccccc12)N1S(=O)(=O)c2ccccc2C1=[O]3.ClCCl
• Title of publication: Novel saccharinate-bridged palladium complexes for efficient C-O bond activation displaying promising luminescence properties.
• Authors of publication: Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Kapdi, Anant R.; Naik, Minal; Pednekar, Suhas; Pérez, José; García, Luis; Pérez, Eduardo; Serrano, J. Luis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 3832 - 3842
• a: 15.1661 ± 0.001 Å
• b: 17.9439 ± 0.0012 Å
• c: 26.005 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7077 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.417
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No