Information card for entry 7245043

Structure parameters

• Formula: C57 H50 Cl6 O4 P2 Pd S4
• Calculated formula: C57 H50 Cl6 O4 P2 Pd S4
• Title of publication: Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations
• Authors of publication: Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.7497 ± 0.0005 Å
• b: 10.1139 ± 0.0006 Å
• c: 16.8551 ± 0.001 Å
• α: 81.465 ± 0.002°
• β: 75.796 ± 0.002°
• γ: 81.299 ± 0.002°
• Cell volume: 1419.65 ± 0.14 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: 0.0322
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No