Information card for entry 2234505

Structure parameters

• Chemical name: Poly[bis(1-carbamoylguanidinium) [tri-μ-chlorido-dichloridobismuthate(III)]]
• Formula: C4 H14 Bi Cl5 N8 O2
• Calculated formula: C4 H14 Bi Cl5 N8 O2
• SMILES: O=C(N)NC(=[NH2+])N.[Bi](Cl)(Cl)(Cl)([Cl-])[Cl-].O=C(N)NC(=[NH2+])N
• Title of publication: Poly[bis(1-carbamoylguanidinium) [tri-μ-chlorido-dichloridobismuthate(III)]]
• Authors of publication: Ferjani, Hel; Boughzala, Habib; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m615
• a: 7.3795 ± 0.0008 Å
• b: 20.706 ± 0.004 Å
• c: 11.028 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1685.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes