Information card for entry 7708527

Structure parameters

• Chemical name: barium N,N'-diisobutyldithiocarbamate
• Formula: C36 H72 Ba2 N4 S8
• Calculated formula: C36 H72 Ba2 N4 S8
• 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: 11.5655 ± 0.0009 Å
• b: 15.3903 ± 0.0012 Å
• c: 16.1262 ± 0.0012 Å
• α: 104.395 ± 0.003°
• β: 104.143 ± 0.003°
• γ: 100.801 ± 0.003°
• Cell volume: 2600.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0355
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No