Information card for entry 2018091

Structure parameters

• Chemical name: 1,2,3-trimethylpyridinium aquatrichloridocuprate(II)
• Formula: C8 H14 Cl3 Cu N O
• Calculated formula: C8 H14 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: 15.4606 ± 0.0004 Å
• b: 9.2495 ± 0.0003 Å
• c: 8.4159 ± 0.0002 Å
• α: 90°
• β: 104.27 ± 0.002°
• γ: 90°
• Cell volume: 1166.36 ± 0.06 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: 0.0309
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes