Information card for entry 7223020

Structure parameters

• Common name: Copper-lead thiolate cluster
• Formula: C97 H81 Cl3 Cu5 O6 P3 Pb S7
• Calculated formula: C97 H81 Cl3 Cu5 O6 P3 Pb S7
• SMILES: [Pb]12[S]([Cu]3[S]4(c5ccccc5)[Cu]([S]([Cu]([S]1c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]3([Cu]([S]1c3ccccc3)[P](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc3)(c3ccccc3)[Cu]14[P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]2c1ccccc1)c1ccccc1.O.ClC(Cl)Cl.O.O.O.O.O
• Title of publication: Rich Synthetic and Structural Chemistry of Polynuclear Pb(II)-Cu(I)/Ag(I) Heterobimetallic Thiolate Clusters, their Decomposition and Generation of a Cu(II) Hydrosulfide Variant.
• Authors of publication: Gupta, Geetika; Bhattacharya, Subrato
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.6761 ± 0.0015 Å
• b: 15.7459 ± 0.0016 Å
• c: 24.799 ± 0.002 Å
• α: 74.232 ± 0.009°
• β: 75.087 ± 0.008°
• γ: 60.183 ± 0.01°
• Cell volume: 5056 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2045
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No