Information card for entry 4350224

Structure parameters

• Formula: C30 H26 Cu4 I4 N10 S4
• Calculated formula: C30 H26 Cu4 I4 N10 S4
• SMILES: c1c2[n]3[Cu]456([I]7[Cu]896([I]6[Cu]%10%11%12([I][Cu]796%12[n]6cccnc6[S]5Cc3cc1)[n]1c(C[S]%10c3[n]8cccn3)cccc1C[S]%11c1ncccn1)[I]4)[S](C2)c1ncccn1
• 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: 13.2104 ± 0.001 Å
• b: 9.9479 ± 0.0008 Å
• c: 15.2018 ± 0.0011 Å
• α: 90°
• β: 95.757 ± 0.001°
• γ: 90°
• Cell volume: 1987.7 ± 0.3 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: 0.0569
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No