Information card for entry 7018796

Structure parameters

• Formula: C21 H32 Cu F3 N8 O3 S Se4
• Calculated formula: C21 H32 Cu F3 N8 O3 S Se4
• Title of publication: Investigating the copper coordination, electrochemistry, and Cu(ii) reduction kinetics of biologically relevant selone and thione compounds.
• Authors of publication: Kimani, Martin M.; Wang, Hsiao C.; Brumaghim, Julia L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5248 - 5259
• a: 14.406 ± 0.002 Å
• b: 14.406 ± 0.002 Å
• c: 15.906 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3301 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No