Information card for entry 7019397

Structure parameters

• Formula: C8 H20 Bi Br5 N2 O2
• Calculated formula: C8 H20 Bi Br5 N2 O2
• Title of publication: [NH(2)(C(2)H(4))(2)O]MX(5): a new family of morpholinium nonlinear optical materials among halogenoantimonate(iii) and halogenobismuthate(iii) compounds. Structural characterization, dielectric and piezoelectric properties.
• Authors of publication: Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard; Miniewicz, Andrzej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7285 - 7294
• a: 9.246 ± 0.003 Å
• b: 10.331 ± 0.003 Å
• c: 18.694 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1785.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No