Information card for entry 2216118

Structure parameters

• Chemical name: 1-Propylquinolinium triiodidocuprate(I)
• Formula: C24 H28 Cu I3 N2
• Calculated formula: C24 H28 Cu I3 N2
• SMILES: I[Cu]([I-])[I-].[n+]1(cccc2ccccc12)CCC.[n+]1(cccc2ccccc12)CCC
• Title of publication: 1-Propylquinolinium triiodidocuprate(I)
• Authors of publication: Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Liu, Ji Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2736 - m2736
• a: 9.4373 ± 0.0019 Å
• b: 9.55 ± 0.0019 Å
• c: 16.175 ± 0.003 Å
• α: 81.27 ± 0.03°
• β: 76.03 ± 0.03°
• γ: 72.82 ± 0.03°
• Cell volume: 1346.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0698
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes