Information card for entry 2018097

Structure parameters

• Chemical name: 1,1-dimethylpiperidinium aquatrichloridocuprate(II)
• Formula: C7 H18 Cl3 Cu N O
• Calculated formula: C7 H18 Cl3 Cu N O
• SMILES: [Cu](Cl)(Cl)(Cl)[OH2].[N+]1(C)(C)CCCCC1
• 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: 10.1958 ± 0.0003 Å
• b: 7.608 ± 0.0003 Å
• c: 16.3281 ± 0.0005 Å
• α: 90°
• β: 102.927 ± 0.002°
• γ: 90°
• Cell volume: 1234.46 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes