Information card for entry 4332678

Structure parameters

• Formula: C20 H40 N4 O2.5 S8 Zn2
• Calculated formula: C20 H40 N4 O2.5 S8 Zn2
• 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: 13.4241 ± 0.0005 Å
• b: 8.6624 ± 0.0003 Å
• c: 14.7412 ± 0.0006 Å
• α: 90°
• β: 110.113 ± 0.001°
• γ: 90°
• Cell volume: 1609.64 ± 0.11 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No