Information card for entry 4319582

Structure parameters

• Formula: C14 H22 Cl4 Cu N4
• Calculated formula: C14 H22 Cl4 Cu N4
• SMILES: c1(cc[nH+]cc1)N(C)C.[Cu](Cl)(Cl)([Cl-])[Cl-].c1(cc[nH+]cc1)N(C)C
• Title of publication: Polymorphism in Bis(4-dimethylamino- pyridinium)tetrachlorocuprate(II)
• Authors of publication: Salim Haddad; Roger D. Willett
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2457 - 2460
• a: 11.973 ± 0.003 Å
• b: 12.522 ± 0.003 Å
• c: 14.523 ± 0.003 Å
• α: 90°
• β: 113.861 ± 0.013°
• γ: 90°
• Cell volume: 1991.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No