Information card for entry 7208176

Structure parameters

• Formula: C22 H22 Cu I3 N2
• Calculated formula: C22 H22 Cu I3 N2
• SMILES: c1cccc2c1cc[n+](c2)CCCC[n+]1ccc2c(c1)cccc2.[Cu](I)([I-])[I-]
• 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: 9.8393 ± 0.0004 Å
• b: 14.0296 ± 0.0004 Å
• c: 17.5897 ± 0.0006 Å
• α: 90°
• β: 100.459 ± 0.003°
• γ: 90°
• Cell volume: 2387.76 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No