Information card for entry 4000048

Structure parameters

• Chemical name: Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)
• Formula: C40 H72 Cl4 Cu N2
• Calculated formula: C20 H36 Cl2.003 Cu0.501 N
• SMILES: Cl[Cu]([Cl-])([Cl-])Cl.CCCCCCCCCCCCCCC[n+]1ccccc1.CCCCCCCCCCCCCCC[n+]1ccccc1
• Title of publication: A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals
• Authors of publication: Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2032 - 2041
• a: 40.131 ± 0.008 Å
• b: 7.9554 ± 0.0016 Å
• c: 7.2309 ± 0.0014 Å
• α: 90°
• β: 91.71 ± 0.03°
• γ: 90°
• Cell volume: 2307.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2465
• Weighted residual factors for all reflections included in the refinement: 0.2803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No