Information card for entry 7160256

Structure parameters

• Common name: 5-PdCl2
• Chemical name: 5-PdCl2
• Formula: C194 H239 Cl4 N O24 P4 Pd2 Se8
• Calculated formula: C194 H239 Cl4 N O24 P4 Pd2 Se8
• Title of publication: Coordination complexes of P^III-doped heterobuckybowls and their applications in catalysis.
• Authors of publication: Feng, Lijun; Hua, Xinqiang; Shang, Jihai; Shao, Xiangfeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 665 - 672
• a: 17.3656 ± 0.0002 Å
• b: 22.3745 ± 0.0002 Å
• c: 24.2121 ± 0.0002 Å
• α: 89.68 ± 0.001°
• β: 78.879 ± 0.001°
• γ: 86.794 ± 0.001°
• Cell volume: 9216.3 ± 0.16 ų
• Cell temperature: 150.1 ± 0.3 K
• Ambient diffraction temperature: 150.1 ± 0.3 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No