Information card for entry 7716606

Structure parameters

• Formula: C59.5 H52 Cl4 Cu4 N8 S4
• Calculated formula: C59.5 H52 Cl4 Cu4 N8 S4
• Title of publication: Synthesis and characterisation of copper(I) complexes with relevance to intramolecular Ullmann <i>O</i>,<i>S</i>-arylation.
• Authors of publication: Jin, Xiaodong; Nguyen, Bao-Nguyen T; Davies, Robert P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12554 - 12559
• a: 10.2309 ± 0.0003 Å
• b: 13.7555 ± 0.0005 Å
• c: 21.4692 ± 0.001 Å
• α: 76.317 ± 0.004°
• β: 81.511 ± 0.003°
• γ: 80.941 ± 0.003°
• Cell volume: 2879.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No