Information card for entry 2238419

Structure parameters

• Chemical name: <i>catena</i>-Poly[heptylenediammonium [[tetrachloridobismuthate(III)]-μ-chlorido]]
• Formula: C7 H20 Bi Cl5 N2
• Calculated formula: C7 H20 Bi Cl5 N2
• SMILES: C(CCCCCC[NH3+])[NH3+].[Bi](Cl)(Cl)(Cl)(Cl)[Cl][Bi](Cl)(Cl)(Cl)(Cl)Cl.C(CCCCCC[NH3+])[NH3+]
• Title of publication: <i>catena</i>-Poly[heptylenediammonium [[tetrachloridobismuthate(III)]-μ-chlorido]]
• Authors of publication: Ouasri, Ali; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m437
• a: 12.2451 ± 0.0005 Å
• b: 16.5509 ± 0.0006 Å
• c: 15.8934 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3221.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes