Information card for entry 2230898

Structure parameters

• Chemical name: Bis(1-methylpiperazine-1,4-diium) tetrabromidocuprate(II)
• Formula: C5 H14 Br4 Cu N2
• Calculated formula: C5 H14 Br4 Cu N2
• SMILES: [Br-][Cu](Br)(Br)[Br-].[NH2+]1CC[NH+](CC1)C
• Title of publication: Bis(1-methylpiperazine-1,4-diium) tetrabromidocuprate(II)
• Authors of publication: Peng, Cong-hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m967
• a: 9.1933 ± 0.0018 Å
• b: 10.341 ± 0.002 Å
• c: 14.255 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1355.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes