Information card for entry 2007085

Structure parameters

• Formula: C12 H24 Br4 I2 Pd S6
• Calculated formula: C12 H24 Br4 I2 Pd S6
• SMILES: [I-](Br)Br.[Pd]12([S]3CCSCC[S]1CC3)[S]1CCSCC[S]2CC1.[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: 9.253 ± 0.008 Å
• b: 12.88 ± 0.02 Å
• c: 12.455 ± 0.01 Å
• α: 90°
• β: 109.69 ± 0.07°
• γ: 90°
• Cell volume: 1398 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.2882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No