Information card for entry 7018594

Structure parameters

• Formula: C26 H19 Cl2 N3 O3 Pd S
• Calculated formula: C26 H19 Cl2 N3 O3 Pd S
• SMILES: [Pd]1(c2cccc3ccc4ccc[n]1c4c23)(N1C(=O)c2ccccc2S1(=O)=O)[n]1ccccc1.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: 8.474 ± 0.003 Å
• b: 19.208 ± 0.007 Å
• c: 14.671 ± 0.005 Å
• α: 90°
• β: 94.607 ± 0.006°
• γ: 90°
• Cell volume: 2380.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No