Information card for entry 2312530

Structure parameters

• Chemical name: (μ-1,4,10,13-Tetrathia-7,16-diazacyclooctadecane)bis[iodidopalladium(II)] diiodide penta(diiodine)
• Formula: C12 H26 I14 N2 Pd2 S4
• Calculated formula: C12 H26 I14 N2 Pd2 S4
• Title of publication: Formation of extended polyiodides at large cation templates.
• Authors of publication: Blake, Alexander J.; Castellano, Carlo; Lippolis, Vito; Podda, Enrico; Schröder, Martin
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 7
• Pages of publication: 311 - 318
• a: 21.609 ± 0.004 Å
• b: 8.198 ± 0.003 Å
• c: 24.151 ± 0.003 Å
• α: 90°
• β: 100.17 ± 0.013°
• γ: 90°
• Cell volume: 4211.1 ± 1.8 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No