Information card for entry 7028609

Structure parameters

• Formula: C44 H44 Br4 Cu4 N4 S4
• Calculated formula: C44 H44 Br4 Cu4 N4 S4
• Title of publication: Stoichiometric sensitivity and structural diversity in click-active copper(I) N,S-heterocyclic carbene complexes.
• Authors of publication: Han, Xiaoyan; Weng, Zhiqiang; Young, David James; Jin, Guo-Xin; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1305 - 1312
• a: 11.1913 ± 0.0008 Å
• b: 15.8654 ± 0.0011 Å
• c: 13.3763 ± 0.0009 Å
• α: 90°
• β: 93.003 ± 0.002°
• γ: 90°
• Cell volume: 2371.8 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No