Information card for entry 7716610

Structure parameters

• Formula: C62.5 H48 Br4 Cu4 N4 S4
• Calculated formula: C62.5 H48 Br4 Cu4 N4 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: 12.754 ± 0.0006 Å
• b: 14.5329 ± 0.0006 Å
• c: 18.2953 ± 0.0006 Å
• α: 88.595 ± 0.003°
• β: 80.345 ± 0.003°
• γ: 64.848 ± 0.004°
• Cell volume: 3021.9 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No