Information card for entry 2215388

Structure parameters

• Common name: [DEA]2[CuCl4]
• Chemical name: Bis(diethylammonium) tetrachloridocuprate(II)
• Formula: C8 H24 Cl4 Cu N2
• Calculated formula: C8 H24 Cl4 Cu N2
• SMILES: CC[NH2+]CC.CC[NH2+]CC.[Cl-][Cu](Cl)(Cl)[Cl-]
• Title of publication: Bis(diethylammonium) tetrachloridocuprate(II)
• Authors of publication: Willett, Roger D.; Twamley, Brendan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2591 - m2591
• a: 7.2936 ± 0.0015 Å
• b: 14.881 ± 0.003 Å
• c: 44.751 ± 0.009 Å
• α: 90°
• β: 90.12 ± 0.03°
• γ: 90°
• Cell volume: 4857.1 ± 1.7 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes