Information card for entry 7217333

Structure parameters

• Formula: C20 H20 N6 O6 Pd
• Calculated formula: C20 H20 N6 O6 Pd
• SMILES: C1(=O)CCC(=O)N1[Pd]([n]1cccc(c1)C(=O)N)(N1C(=O)CCC1=O)[n]1cccc(c1)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: 9.67234 ± 0.0001 Å
• b: 14.37138 ± 0.00015 Å
• c: 8.18547 ± 0.0001 Å
• α: 90°
• β: 92.7327 ± 0.0001°
• γ: 90°
• Cell volume: 1136.53 ± 0.02 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor R(I) for significantly intense reflections: 4.3496
• Goodness-of-fit parameter for all reflections: 2.5756
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.8269 Å
• Diffraction radiation type: synchrotron
• Duplicate of: 7215910
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No