Information card for entry 4301957

Structure parameters

• Formula: C56 H128 O60 Pd2 S8 Se8 W6
• Calculated formula: C56 H56 O60 Pd2 S8 Se8 W6
• SMILES: [OH2][W]12345([OH2])([Se]6[W]7892([Se]1[Pd]12%10%1148[W]367([OH2])([OH2])([OH2])([Se]52[Pd]234561[W]178%12([OH2])([OH2])([OH2])[W]%13%142([OH2])([OH2])([OH2])([W]31([OH2])([OH2])([OH2])([Se]%1047)([Se]5%13)[Se]8%14)[Se]6%12)[Se]9%11)([OH2])([OH2])[OH2])[OH2].S(=O)(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)(c1ccc(cc1)C)[O-].O.O.O.O.O.O.O.O.O.S(=O)(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)(c1ccc(cc1)C)[O-].O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis, Reactivity, and Kinetics of Substitution in W3PdSe4 Cuboidal Clusters. A Reexamination of the Kinetics of Substitution of the Related W3S4 Cluster with Thiocyanate
• Authors of publication: Andrés G. Algarra; Maxim N. Sokolov; Javier González-Platas; María Jesús Fernández-Trujillo; Manuel G. Basallote; Rita Hernández-Molina
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3639 - 3649
• a: 11.7366 ± 0.0009 Å
• b: 15.0088 ± 0.0014 Å
• c: 16.477 ± 0.0016 Å
• α: 77.862 ± 0.005°
• β: 84.503 ± 0.005°
• γ: 82.573 ± 0.005°
• Cell volume: 2806.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No