Information card for entry 2230517

Structure parameters

• Chemical name: Bis(1-methylpiperidinium) tetrachloridocuprate(II)
• Formula: C12 H28 Cl4 Cu N2
• Calculated formula: C12 H28 Cl4 Cu N2
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[NH+]1(C)CCCCC1.[NH+]1(C)CCCCC1
• Title of publication: Bis(1-methylpiperidinium) tetrachloridocuprate(II)
• Authors of publication: Reynolds, Bryan J.; Bond, Marcus R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m725 - m726
• a: 12.2264 ± 0.0002 Å
• b: 11.3442 ± 0.0002 Å
• c: 13.3455 ± 0.0002 Å
• α: 90°
• β: 96.865 ± 0.001°
• γ: 90°
• Cell volume: 1837.73 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes