Information card for entry 4346465

Structure parameters

• Formula: C48 H48 O12 Pd6 S12
• Calculated formula: C48 H48 O12 Pd6 S12
• SMILES: [Pd]123[S]4[Pd]56[S]7[Pd]89[S]%10[Pd]%11([S]2c2c([S]1[Pd]([S]9c1c7cc(OC)c(OC)c1)([S]%11c1cc(OC)c(OC)cc1%10)[S]6c1c4cc(OC)c(OC)c1)cc(OC)c(OC)c2)[S]1[Pd]2([S]8c4cc(OC)c(OC)cc14)[S]5c1cc(OC)c(OC)cc1[S]32
• Title of publication: Phosphine control of the oxidative addition chemistry of tetrathiocins to palladium(0): characterization of mono-, di-, and hexanuclear palladium(II) dithiolate complexes.
• Authors of publication: Wrixon, Justin D.; Hayward, John J.; Rawson, Jeremy M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9384 - 9386
• a: 21.721 ± 0.006 Å
• b: 22.37 ± 0.006 Å
• c: 16.448 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7992 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No