Information card for entry 4346467

Structure parameters

• Formula: C34 H32 Cl2 O2 P2 Pd S2
• Calculated formula: C34 H32 Cl2 O2 P2 Pd S2
• SMILES: [Pd]12(Sc3c(S2)cc(OC)c(OC)c3)[P](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 12.136 ± 0.005 Å
• b: 23.488 ± 0.009 Å
• c: 24.456 ± 0.01 Å
• α: 90°
• β: 102.527 ± 0.005°
• γ: 90°
• Cell volume: 6805 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0705
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No