Information card for entry 7028607

Structure parameters

• Formula: C20 H18 Br2 Cu2 N2 S2
• Calculated formula: C20 H18 Br2 Cu2 N2 S2
• SMILES: C1(N(c2ccccc2S1)CC=C)=[Cu]1[Br][Cu](=C2N(c3ccccc3S2)CC=C)[Br]1
• 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: 7.8242 ± 0.001 Å
• b: 8.0124 ± 0.0011 Å
• c: 9.5144 ± 0.0012 Å
• α: 94.764 ± 0.003°
• β: 95.869 ± 0.003°
• γ: 110.659 ± 0.002°
• Cell volume: 550.62 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No