Information card for entry 7204139

Structure parameters

• Formula: C17 H13 Pd2 S21
• Calculated formula: C17 H13 Pd2 S21
• Title of publication: Synthesis, electrical behaviour, and crystal and electronic band structures of two different phases of the (SMeEt2)[Pd(dmit)2]2 salt. Consequences of cationic disorder on the electrical properties
• Authors of publication: Faulmann, C.; Doublet, M.-L.; Granier, F.; Garreau de Bonneval, B.; Malfant, I.; Legros, J.-P.; Togonidze, T.; Cassoux, P.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2205
• a: 7.844 ± 0.005 Å
• b: 18.397 ± 0.005 Å
• c: 6.32 ± 0.005 Å
• α: 97.654 ± 0.005°
• β: 112.076 ± 0.005°
• γ: 83.572 ± 0.005°
• Cell volume: 835.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No