Information card for entry 7708528

Structure parameters

• Chemical name: barium N,N'-diisopropyldithiocarbamate
• Formula: C50 H100 Ba3 N6 O2 S12
• Calculated formula: C50 H100 Ba3 N6 O2 S12
• Title of publication: Barium and titanium dithiocarbamates as precursors for colloidal nanocrystals of emerging optoelectronic materials.
• Authors of publication: Ingram, Nicole E.; Jordan, Brian J.; Donnadieu, Bruno; Creutz, Sidney E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• a: 14.5911 ± 0.0007 Å
• b: 23.6067 ± 0.0012 Å
• c: 22.2683 ± 0.0012 Å
• α: 90°
• β: 105.991 ± 0.002°
• γ: 90°
• Cell volume: 7373.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No