Information card for entry 4332679

Structure parameters

• Formula: C10 H22 N2 O5 S4 Zn
• Calculated formula: C10 H22 N2 O5 S4 Zn
• Title of publication: Oxygenation of Zinc Dialkyldithiocarbamate Complexes: Isolation, Characterization, and Reactivity of the Stoichiometric Oxygenates
• Authors of publication: Brayton, Daniel F.; Tanabe, Kristine; Khiterer, Mariya; Kolahi, Kian; Ziller, Joseph; Greaves, John; Farmer, Patrick J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6064 - 6072
• a: 17.6637 ± 0.0007 Å
• b: 5.9091 ± 0.0002 Å
• c: 17.9763 ± 0.0007 Å
• α: 90°
• β: 97.988 ± 0.001°
• γ: 90°
• Cell volume: 1858.1 ± 0.12 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No