Information card for entry 2241214

Structure parameters

• Chemical name: Bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate
• Formula: C12 H32 Bi2 Cl10 N4 O2
• Calculated formula: C12 H32 Bi2 Cl10 N4 O2
• SMILES: [Bi]1(Cl)(Cl)(Cl)(Cl)[Cl][Bi]([Cl]1)(Cl)(Cl)(Cl)Cl.C1C[NH+]2CC[NH+]1CC2.O.C1C[NH+]2CC[NH+]1CC2.O
• Title of publication: Crystal structure of the new hybrid material bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate
• Authors of publication: Chouri, Marwen; Boughzala, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: 1384 - 1387
• a: 7.875 ± 0.003 Å
• b: 18.379 ± 0.005 Å
• c: 10.444 ± 0.004 Å
• α: 90°
• β: 105.95 ± 0.03°
• γ: 90°
• Cell volume: 1453.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0467
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes