Information card for entry 2226601

Structure parameters

• Chemical name: 1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrabromidocuprate(II)
• Formula: C8 H15 Br4 Cu N3
• Calculated formula: C8 H15 Br4 Cu N3
• SMILES: [Br-][Cu](Br)(Br)[Br-].[NH+]12CC[N+](CC#N)(CC1)CC2
• Title of publication: 1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrabromidocuprate(II)
• Authors of publication: Cai, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m830
• a: 8.4793 ± 0.0017 Å
• b: 13.911 ± 0.003 Å
• c: 12.506 ± 0.003 Å
• α: 90°
• β: 97.75 ± 0.03°
• γ: 90°
• Cell volume: 1461.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes