Information card for entry 2231529

Structure parameters

• Chemical name: Bis(benzyltrimethylammonium) tetrabromidocuprate(II)
• Formula: C20 H32 Br4 Cu N2
• Calculated formula: C20 H32 Br4 Cu N2
• SMILES: [Br-][Cu](Br)(Br)[Br-].C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1
• Title of publication: Bis(benzyltrimethylammonium) tetrabromidocuprate(II)
• Authors of publication: Jin, Lei; Liu, Ning; Li, Yong-Jun; Wu, De-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1325
• a: 9.1908 ± 0.0008 Å
• b: 9.6697 ± 0.0019 Å
• c: 29.0243 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2579.5 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1075
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes