Information card for entry 7207191

Structure parameters

• Formula: C36 H62 Cl4 N4 O2 Zn
• Calculated formula: C36 H62 Cl4 N4 O2 Zn
• SMILES: C(=O)(N)c1c[n+](CCCCCCCCCCCC)ccc1.Cl[Zn](Cl)([Cl-])[Cl-].C(=O)(c1c[n+](CCCCCCCCCCCC)ccc1)N
• Title of publication: Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts
• Authors of publication: Su, Chien-Cheng; Lee, Kwang-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1283
• a: 6.8484 ± 0.0003 Å
• b: 36.7066 ± 0.0014 Å
• c: 8.289 ± 0.0003 Å
• α: 90°
• β: 105.25 ± 0.002°
• γ: 90°
• Cell volume: 2010.33 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No