Information card for entry 7029021

Structure parameters

• Formula: C38 H32 O4 P2 Pd S4
• Calculated formula: C38 H32 O4 P2 Pd S4
• SMILES: [C@@H]1(P(c2ccccc2)(c2ccccc2)=[S][Pd]21[C@H](P(c1ccccc1)(c1ccccc1)=[S]2)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.[C@H]1(P(c2ccccc2)(c2ccccc2)=[S][Pd]21[C@@H](P(c1ccccc1)(c1ccccc1)=[S]2)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
• Title of publication: On the structure and ambiphilicity of a sulfonyl substituted α-chloro lithium base.
• Authors of publication: Becker, Julia; Gessner, Viktoria H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4320 - 4325
• a: 23.4275 ± 0.0016 Å
• b: 9.8149 ± 0.0007 Å
• c: 17.4155 ± 0.0012 Å
• α: 90°
• β: 116.776 ± 0.002°
• γ: 90°
• Cell volume: 3575.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No