Information card for entry 2239077

Structure parameters

• Chemical name: Bis(<i>n</i>-dodecylammonium) bis(chloranilato)diethanolcuprate(II)
• Formula: C40 H68 Cl4 Cu N2 O10
• Calculated formula: C40 H68 Cl4 Cu N2 O10
• SMILES: C12C(=C(C(=O)C(=O)C=1Cl)Cl)O[Cu]1(O2)(OC2C(=C(C(=O)C(=O)C=2Cl)Cl)O1)([OH]CC)[OH]CC.C([NH3+])CCCCCCCCCCC.C([NH3+])CCCCCCCCCCC
• Title of publication: Bis(<i>n</i>-dodecylammonium) bis(chloranilato)diethanolcuprate(II)
• Authors of publication: Himegi, Akiko; Kawata, Satoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: m63 - m64
• a: 9.2192 ± 0.0015 Å
• b: 9.4791 ± 0.0013 Å
• c: 15.162 ± 0.003 Å
• α: 76.894 ± 0.009°
• β: 89.133 ± 0.01°
• γ: 63.11 ± 0.006°
• Cell volume: 1145.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes