Information card for entry 7217332

Structure parameters

• Formula: C26 H20 N6 O8 Pd S2
• Calculated formula: C26 H20 N6 O8 Pd S2
• SMILES: C1(=O)c2ccccc2S(=O)(=O)N1[Pd]([n]1cc(ccc1)C(=O)N)(N1C(=O)c2ccccc2S1(=O)=O)[n]1cc(ccc1)C(=O)N
• 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: 12.03223 ± 0.00012 Å
• b: 14.00604 ± 0.00015 Å
• c: 9.78155 ± 0.0001 Å
• α: 90°
• β: 110.872 ± 0.0013°
• γ: 90°
• Cell volume: 1540.25 ± 0.03 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 R(I) for significantly intense reflections: 3.7832
• Goodness-of-fit parameter for all reflections: 2.6442
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.8269 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 7215909
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No