Information card for entry 7715751

Structure parameters

• Formula: C21 H21 Cu N4 S4
• Calculated formula: C21 H21 Cu N4 S4
• Title of publication: X-ray absorption and emission spectroscopy of N₂S₂ Cu(II)/(III) complexes.
• Authors of publication: Geoghegan, Blaise L.; Bilyj, Jessica K.; Bernhardt, Paul V.; DeBeer, Serena; Cutsail, 3rd, George E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 23.8933 ± 0.0004 Å
• b: 8.9093 ± 0.0001 Å
• c: 10.5529 ± 0.0002 Å
• α: 90°
• β: 99.058 ± 0.002°
• γ: 90°
• Cell volume: 2218.41 ± 0.06 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No