Information card for entry 7214572

Structure parameters

• Chemical name: diammonium tetrabromocuprate dihydrate
• Formula: Br4 Cu H12 N2 O2
• Calculated formula: Br4 Cu H12 N2 O2
• Title of publication: Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal
• Authors of publication: Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 7498
• a: 7.994 ± 0.0011 Å
• b: 7.994 ± 0.0011 Å
• c: 8.275 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 528.81 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.8292 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No