Information card for entry 4000365

Structure parameters

• Common name: [(C12H25)2-im]2[CuCl4]H2O
• Chemical name: bis[(N-docdecyl)imidazolium]tetrachlorocuprate(II)
• Formula: C54 H108 Cl4 Cu N4 O
• Calculated formula: C54 H108 Cl4 Cu N4 O
• SMILES: Cl[Cu](Cl)([Cl-])[Cl-].CCCCCCCCCCCCn1cc[n+](c1)CCCCCCCCCCCC.CCCCCCCCCCCCn1cc[n+](c1)CCCCCCCCCCCC.O
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 83.357 ± 0.003 Å
• b: 8.5867 ± 0.0003 Å
• c: 16.8486 ± 0.0004 Å
• α: 90°
• β: 97.468 ± 0.001°
• γ: 90°
• Cell volume: 11957.2 ± 0.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.1395
• Weighted residual factors for significantly intense reflections: 0.1277
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No