Information card for entry 7217329

Structure parameters

• Formula: C22 H16 N6 O6 Pd S2
• Calculated formula: C22 H16 N6 O6 Pd S2
• SMILES: C1(=O)c2ccccc2S(=O)(=O)N1[Pd](N1C(=O)c2ccccc2S1(=O)=O)([n]1ncccc1)[n]1ncccc1
• Title of publication: Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes
• Authors of publication: Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 7124
• a: 8.053 ± 0.0003 Å
• b: 9.722 ± 0.0004 Å
• c: 16.051 ± 0.0004 Å
• α: 90°
• β: 96.788 ± 0.002°
• γ: 90°
• Cell volume: 1247.84 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7215906
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No