Information card for entry 7715752

Structure parameters

• Formula: C9 H14 Cu N4 S4
• Calculated formula: C9 H14 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: 46.877 ± 0.009 Å
• b: 6.963 ± 0.0014 Å
• c: 8.814 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2876.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No