Information card for entry 2018093

Structure parameters

• Chemical name: 3,4-dimethylpyridinium aquatrichloridocuprate(II)
• Formula: C7 H12 Cl3 Cu N O
• Calculated formula: C7 H12 Cl3 Cu N O
• Title of publication: [CuCl~3~(H~2~O)]^{-^} complexes aggregated to form hydrate columns in methyl-substituted pyridinium or piperidinium salts
• Authors of publication: Nalla, Sowjanya; Bond, Marcus R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m185 - m194
• a: 15.1429 ± 0.0004 Å
• b: 8.8854 ± 0.0002 Å
• c: 8.5918 ± 0.0002 Å
• α: 90°
• β: 104.262 ± 0.002°
• γ: 90°
• Cell volume: 1120.4 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes