Information card for entry 2230857

Structure parameters

• Chemical name: 1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)
• Formula: C7 H15 Cl5 Cu N2
• Calculated formula: C7 H15 Cl5 Cu N2
• SMILES: C1C[N+]2(CC[NH+]1CC2)CCl.[Cl-][Cu](Cl)(Cl)[Cl-]
• Title of publication: 1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)
• Authors of publication: Rong, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m889
• a: 9.878 ± 0.004 Å
• b: 11.167 ± 0.004 Å
• c: 12.201 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1345.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes