Information card for entry 4072202

Structure parameters

• Formula: C48 H47 Br O6 P2 Pd S2
• Calculated formula: C48 H47 Br O6 P2 Pd S2
• SMILES: [Pd](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(=O)O)C(=O)O.S(=O)(C)C.S(=O)(C)C
• Title of publication: Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the Ligand Introduction Route
• Authors of publication: Kimura, Tsutomu; Uozumi, Yasuhiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5159
• a: 13.392 ± 0.002 Å
• b: 18.203 ± 0.003 Å
• c: 19.051 ± 0.003 Å
• α: 90°
• β: 95.945 ± 0.003°
• γ: 90°
• Cell volume: 4619.2 ± 1.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No