Information card for entry 2206199

Structure parameters

• Chemical name: 1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachlorocuprate(II)
• Formula: C8 H18 Cl4 Cu N2
• Calculated formula: C8 H18 Cl4 Cu N2
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[N+]12(CC[N+](CC1)(CC2)C)C
• Title of publication: 1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachlorocuprate(II)
• Authors of publication: Sun, Xian-Ming; Qu, Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1360 - m1362
• a: 19.6572 ± 0.0016 Å
• b: 8.0741 ± 0.0007 Å
• c: 17.6413 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2799.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes