Information card for entry 7701111

Structure parameters

• Formula: C3 H15 Bi2 Br9 N6
• Calculated formula: C3.0002 H14.9998 Bi2 Br9 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: 8.366 ± 0.007 Å
• b: 8.366 ± 0.007 Å
• c: 10.183 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 617.2 ± 0.9 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No