Information card for entry 7208180

Structure parameters

• Formula: C14 H13 Cu N3 S2
• Calculated formula: C14 H13 Cu N3 S2
• 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: 8.1247 ± 0.0007 Å
• b: 9.132 ± 0.0008 Å
• c: 10.6624 ± 0.001 Å
• α: 101.94 ± 0.008°
• β: 94.339 ± 0.008°
• γ: 107.73 ± 0.008°
• Cell volume: 729.01 ± 0.12 ų
• Cell temperature: 290.65 K
• Ambient diffraction temperature: 290.65 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No