Information card for entry 7245047

Structure parameters

• Formula: C55 H46 As2 Ni O5 S4
• Calculated formula: C55 H46 As2 Ni O5 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: 10.4267 ± 0.0005 Å
• b: 52.731 ± 0.002 Å
• c: 13.8477 ± 0.0006 Å
• α: 90°
• β: 100.58 ± 0.002°
• γ: 90°
• Cell volume: 7484.2 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.99 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No