Information card for entry 7217331

Structure parameters

• Formula: C18 H22 N2 O8 Pd S4
• Calculated formula: C18 H22 N2 O8 Pd S4
• SMILES: C1(=O)c2ccccc2S(=O)(=O)N1[Pd]([OH2])(N1C(=O)c2ccccc2S1(=O)=O)[S](C)C.S(=O)(C)C
• 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: 22.245 ± 0.002 Å
• b: 13.6954 ± 0.0014 Å
• c: 7.5899 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7215908
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No