Information card for entry 4319581

Structure parameters

• Formula: C14 H22 Cl4 Cu N4
• Calculated formula: C14 H22 Cl4 Cu N4
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].c1(cc[nH+]cc1)N(C)C.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: 7.7013 ± 0.0004 Å
• b: 8.7917 ± 0.0004 Å
• c: 15.9492 ± 0.0007 Å
• α: 84.748 ± 0.001°
• β: 84.71 ± 0.001°
• γ: 66.351 ± 0.001°
• Cell volume: 983.22 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No