Information card for entry 2007086

Structure parameters

• Formula: C10 H20 Br4 I2 Pd S4
• Calculated formula: C10 H20 Br4 I2 Pd S4
• SMILES: [I-](Br)Br.[Pd]123[S]4CCC[S]2CC[S]1CCC[S]3CC4.[I-](Br)Br
• Title of publication: Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions
• Authors of publication: Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 295 - 298
• a: 14.651 ± 0.002 Å
• b: 9.3117 ± 0.0007 Å
• c: 16.7648 ± 0.0011 Å
• α: 90°
• β: 93.468 ± 0.01°
• γ: 90°
• Cell volume: 2283 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.0903
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No