Information card for entry 7009128

Structure parameters

• Formula: C18 H38 O Pd6 S12
• Calculated formula: C18 H36 O Pd6 S12
• SMILES: O.C1CC[S]2[Pd]34[S]5CCC[S]6[Pd]7([S]8CCC[S]7[Pd]78[S]8CCC[S]9[Pd]2([S]14)[S]1CCC[S]7[Pd]891)[S]1CCC[S]3[Pd]561
• Title of publication: A new access to palladium‒phosphine chemistry. Formation of polynuclear palladium compounds via the oxidation of ligands in simple palladium(II) complexes
• Authors of publication: Su, Weiping; Cao, Rong; Hong, Maochun; Wu, Daxu; Lu, Jiaxi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1527
• a: 10.506 ± 0.002 Å
• b: 16.789 ± 0.003 Å
• c: 10.837 ± 0.002 Å
• α: 90°
• β: 99.83 ± 0.03°
• γ: 90°
• Cell volume: 1883.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1011
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections: 0.1687
• Weighted residual factors for significantly intense reflections: 0.1512
• Goodness-of-fit parameter for all reflections: 1.134
• Goodness-of-fit parameter for significantly intense reflections: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No