Information card for entry 7242850

Structure parameters

• Formula: C8 H12 Cl5 N6 Sb
• Calculated formula: C8 H12 Cl5 N6 Sb
• SMILES: [Sb]([Cl-])(Cl)(Cl)([Cl-])Cl.c1c[nH+]c(N)nc1.n1c([nH+]ccc1)N
• Title of publication: Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)
• Authors of publication: Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 29
• Pages of publication: 17574 - 17586
• a: 5.713 ± 0.003 Å
• b: 14.125 ± 0.005 Å
• c: 10.254 ± 0.004 Å
• α: 90°
• β: 105.65 ± 0.02°
• γ: 90°
• Cell volume: 796.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No