Information card for entry 7209150

Structure parameters

• Formula: C28 H48 Cl4 N8 O6 Pd2 S2
• Calculated formula: C28 H44 Cl4 N8 O6 Pd2 S2
• Title of publication: Study of new metallomacrocyclic Pd(ii) complexes based on hybrid pyrazole sulfoxide/sulfone ligands and their contribution to supramolecular networks
• Authors of publication: de León, Antonio; Guerrero, Miguel; García-Antón, Jordi; Ros, Josep; Font-Bardía, Mercè; Pons, Josefina
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 1762
• a: 8.186 ± 0.005 Å
• b: 9.317 ± 0.004 Å
• c: 13.956 ± 0.006 Å
• α: 72.55 ± 0.03°
• β: 83.78 ± 0.04°
• γ: 72.72 ± 0.04°
• Cell volume: 969.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No