Information card for entry 7028608

Structure parameters

• Formula: C40 H44 Br4 Cu4 N4 S4
• Calculated formula: C40 H44 Br4 Cu4 N4 S4
• SMILES: C1(N(c2ccccc2S1)CCC)=[Cu]1[Br]2[Cu]([Br]1)([Br]1[Cu](=C3N(c4ccccc4S3)CCC)[Br][Cu]21=C1N(c2ccccc2S1)CCC)=C1N(c2ccccc2S1)CCC
• 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: 9.5728 ± 0.0007 Å
• b: 10.8961 ± 0.0008 Å
• c: 11.535 ± 0.0008 Å
• α: 75.943 ± 0.001°
• β: 89.931 ± 0.001°
• γ: 74.752 ± 0.001°
• Cell volume: 1123.53 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No