Information card for entry 2230502

Structure parameters

• Chemical name: Bis(3-methylpyridinium) tetra(chlorido/bromido)cuprate(II)
• Formula: C12 H16 Br0.6 Cl3.4 Cu N2
• Calculated formula: C12 H16 Br0.6 Cl3.4 Cu N2
• Title of publication: Bis(3-methylpyridinium) tetra(chlorido/bromido)cuprate(II)
• Authors of publication: Kim, Young-Inn; Lim, Hyun-Soo; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m793 - m794
• a: 9.0617 ± 0.0018 Å
• b: 13.259 ± 0.003 Å
• c: 14.06 ± 0.003 Å
• α: 90°
• β: 102.47 ± 0.03°
• γ: 90°
• Cell volume: 1649.4 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes