Information card for entry 7039283

Structure parameters

• Chemical name: bis-d12-dimethyldithiocarbamate palldium(II)
• Formula: C6 D12 N2 Pd S4
• Calculated formula: C6 D12 N2 Pd S4
• SMILES: [Pd]12([S]=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])S1)[S]=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])S2
• Title of publication: Characterization of PdH-C interactions in bis-dimethyldithiocarbamate palladium(ii) and its deuterated analog by luminescence spectroscopy at variable pressure.
• Authors of publication: Poirier, Stéphanie; Tailleur, Elodie; Lynn, Hudson; Reber, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 10883 - 10886
• a: 6.4754 ± 0.0014 Å
• b: 7.0391 ± 0.0015 Å
• c: 7.6797 ± 0.0016 Å
• α: 65.235 ± 0.006°
• β: 67.183 ± 0.007°
• γ: 84.974 ± 0.007°
• Cell volume: 291.81 ± 0.11 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No