Information card for entry 7204146

Structure parameters

• Chemical name: Qinuclidinium bis(1,3-dithiol-2-thione-4,5-dithiolato)palladium at 150K
• Formula: C19 H14 N Pd2 S20
• Calculated formula: C19 H14 N Pd2 S20
• Title of publication: A new molecular metal based on Pd(dmit)2: synthesis, structure and electrical properties of (C7H13NH)[Pd(dmit)2]2 (dmit2‒ = 2-thioxo-1,3-dithiole-4,5-dithiolate)
• Authors of publication: Naito, T.; Inabe, T.; Kobayashi, H.; Kobayashi, A.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2199
• a: 14.5 ± 0.02 Å
• b: 6.333 ± 0.009 Å
• c: 36.13 ± 0.05 Å
• α: 90°
• β: 90.14 ± 0.1°
• γ: 90°
• Cell volume: 3318 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1424
• Residual factor for significantly intense reflections: 0.1247
• Weighted residual factors for significantly intense reflections: 0.3151
• Weighted residual factors for all reflections included in the refinement: 0.3269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No