Information card for entry 7225713

Structure parameters

• Chemical name: Bis(diisobutylammonium) octabromodiantimonate(III)
• Formula: C8 H20 Br4 N Sb
• Calculated formula: C8 H20 Br4 N Sb
• Title of publication: Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)
• Authors of publication: Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 33
• Pages of publication: 6184
• a: 6.046 ± 0.002 Å
• b: 18.186 ± 0.003 Å
• c: 14.839 ± 0.003 Å
• α: 90°
• β: 96.32 ± 0.02°
• γ: 90°
• Cell volume: 1621.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No