Information card for entry 7160253

Structure parameters

• Common name: 6-PdCl2
• Chemical name: 6-PdCl2
• Formula: C96 H118 Cl2 O12 P2 Pd Te4
• Calculated formula: C96 H118 Cl2 O12 P2 Pd Te4
• 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: 15.002 ± 0.0004 Å
• b: 17.4424 ± 0.0004 Å
• c: 17.9639 ± 0.0005 Å
• α: 94.148 ± 0.002°
• β: 96.151 ± 0.002°
• γ: 90.06 ± 0.002°
• Cell volume: 4661.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1016
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No