Information card for entry 7701110

Structure parameters

• Formula: C3 H15 Bi2 Cl9 N6
• Calculated formula: C3 H15 Bi2 Cl9 N6
• Title of publication: Symmetry breaking structural phase transitions, dielectric properties and molecular motions of formamidinium cations in 1D and 2D hybrid compounds: (NH₂CHNH₂)₃[Bi₂Cl₉] and (NH₂CHNH₂)₃[Bi₂Br₉].
• Authors of publication: Mencel, K.; Starynowicz, P.; Siczek, M.; Piecha-Bisiorek, A; Jakubas, R.; Medycki, W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14829 - 14838
• a: 21.48 ± 0.019 Å
• b: 7.668 ± 0.005 Å
• c: 13.332 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2196 ± 3 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• 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: 0.0881
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No