Information card for entry 4335575

Structure parameters

• Formula: C40 H81 F3 N3 O3 P3 Pd3 S
• Calculated formula: C40 H81 F3 N3 O3 P3 Pd3 S
• Title of publication: Synthesis and Spectroscopic and Spectroelectrochemical Characterization of a New Family of 44e-Tris-Phosphido-Bridged Palladium Triangles
• Authors of publication: Veronica Bonuccelli; Tiziana Funaioli; Piero Leoni; Fabio Marchetti; Lorella Marchetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8759 - 8769
• a: 9.7168 ± 0.0006 Å
• b: 19.8254 ± 0.0012 Å
• c: 28.9139 ± 0.0017 Å
• α: 90°
• β: 92.257 ± 0.002°
• γ: 90°
• Cell volume: 5565.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No