Information card for entry 7160257

Structure parameters

• Common name: 4-PdCl2
• Chemical name: 4-PdCl2
• Formula: C98 H121 Cl4 N O12 P2 Pd2 S4
• Calculated formula: C98 H121 Cl4 N O12 P2 Pd2 S4
• 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: 16.9381 ± 0.0002 Å
• b: 20.3995 ± 0.0002 Å
• c: 29.6262 ± 0.0003 Å
• α: 100.168 ± 0.001°
• β: 103.367 ± 0.001°
• γ: 95.809 ± 0.001°
• Cell volume: 9694.55 ± 0.19 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.1086
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2363
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No