Information card for entry 4350225

Structure parameters

• Formula: C30 H26 Br4 Cu4 N10 S4
• Calculated formula: C30 H26 Br4 Cu4 N10 S4
• SMILES: c1c2C[S]3c4nccc[n]4[Cu]4567[Br][Cu]89%106[n]6c(C[S]8c8ncccn8)cccc6C[S]9c6nccc[n]6[Cu]687([Br][Cu]738([n]2c(C[S]7c2ncccn2)cc1)[Br]56)[Br]4%10
• Title of publication: Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions.
• Authors of publication: Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4035 - 4046
• a: 13.1282 ± 0.0009 Å
• b: 9.7714 ± 0.0007 Å
• c: 14.8445 ± 0.001 Å
• α: 90°
• β: 95.552 ± 0.001°
• γ: 90°
• Cell volume: 1895.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No