Information card for entry 7223808

Structure parameters

• Formula: C48 H80 F2 N4 O6 Pd
• Calculated formula: C48 H80 F2 N4 O6 Pd
• SMILES: C1(=O)C(=O)N(c2ccc(cc2)F)[Pd]2(N(C(=O)C(=O)O2)c2ccc(cc2)F)O1.C([N+](CCCC)(CCCC)CCCC)CCC.C([N+](CCCC)(CCCC)CCCC)CCC
• Title of publication: Intermolecular interactions in dictating the self-assembly of halogen derivatives of bis-(N-substituted oxamato)palladate(II) complexes
• Authors of publication: Fortea-Pérez, Francisco Ramón; Marino, Nadia; De Munno, G.; Armentano, Donatella; Julve, Miguel; Stiriba, Salah-Eddine
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.6448 ± 0.0007 Å
• b: 16.3141 ± 0.0012 Å
• c: 16.9067 ± 0.0013 Å
• α: 90°
• β: 92.808 ± 0.003°
• γ: 90°
• Cell volume: 2657 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No