Information card for entry 7208182

Structure parameters

• Formula: C72 H80 Cu6 I8 Mo2 N8 O4 S6
• Calculated formula: C72 H80 Cu6 I8 Mo2 N8 O4 S6
• SMILES: c1cc2c(cc[n+](c2)CCCC[n+]2cc3c(cc2)cccc3)cc1.I[Cu]123[I]4[Cu]56([S]2[Mo]2736([S]1[Cu]47(I)[S]52)=O)I.[n+]1(ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1.N(C)(C)C=O.c1cccc2c1cc[n+](c2)CCCC[n+]1cc2c(cc1)cccc2.I[Cu]123[I]4[Cu]56(I)[S]2[Mo]2736(=O)[S]1[Cu]47(I)[S]52.N(C)(C)C=O
• Title of publication: The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers
• Authors of publication: Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 4927
• a: 11.1577 ± 0.0017 Å
• b: 13.17 ± 0.002 Å
• c: 17.106 ± 0.003 Å
• α: 70.799 ± 0.003°
• β: 77.497 ± 0.003°
• γ: 72.017 ± 0.003°
• Cell volume: 2239.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No