Information card for entry 2239534

Structure parameters

• Chemical name: Bis(1-methylpiperazine-1,4-diium) di-μ-bromido-bis[tetrabromidobismuthate(III)] dihydrate
• Formula: C10 H32 Bi2 Br10 N4 O2
• Calculated formula: C10 H32 Bi2 Br10 N4 O2
• SMILES: O.[Bi]1([Br][Bi]([Br]1)(Br)(Br)(Br)Br)(Br)(Br)(Br)Br.C[NH+]1CC[NH2+]CC1.O.C[NH+]1CC[NH2+]CC1
• Title of publication: Bis(1-methylpiperazine-1,4-diium) di-μ-bromido-bis[tetrabromidobismuthate(III)] dihydrate
• Authors of publication: Essid, Manel; Roisnel, Thierry; Marouani, Houda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m202 - m203
• a: 7.9263 ± 0.0003 Å
• b: 19.0424 ± 0.0007 Å
• c: 12.5861 ± 0.0004 Å
• α: 90°
• β: 125.77 ± 0.002°
• γ: 90°
• Cell volume: 1541.35 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0258
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes