Information card for entry 7049323

Structure parameters

• Formula: C76 H110 P4 Pd2 S2
• Calculated formula: C76 H110 P4 Pd2 S2
• Title of publication: Oxidation reactions of a nucleophilic palladium carbene: mono and bi-radical carbenes.
• Authors of publication: Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 26
• Pages of publication: 9663 - 9668
• a: 14.6121 ± 0.0003 Å
• b: 36.4414 ± 0.0008 Å
• c: 15.6562 ± 0.0003 Å
• α: 90°
• β: 90.1128 ± 0.0012°
• γ: 90°
• Cell volume: 8336.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No