Information card for entry 2233409

Structure parameters

• Chemical name: Bis(benzyltrimethylammonium) di-μ-bromido-bis[dibromidomercurate(II)]
• Formula: C20 H32 Br6 Hg2 N2
• Calculated formula: C20 H32 Br6 Hg2 N2
• SMILES: C[N+](C)(C)Cc1ccccc1.Br[Hg]1(Br)[Br][Hg](Br)(Br)[Br]1.C[N+](C)(C)Cc1ccccc1
• Title of publication: Bis(benzyltrimethylammonium) di-μ-bromido-bis[dibromidomercurate(II)]
• Authors of publication: Jin, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m123
• a: 9.0542 ± 0.0011 Å
• b: 9.7287 ± 0.0009 Å
• c: 9.894 ± 0.001 Å
• α: 80.78 ± 0.01°
• β: 71.02 ± 0.01°
• γ: 62.39 ± 0.01°
• Cell volume: 730.24 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes