Information card for entry 7214570

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: 7.9561 ± 0.0001 Å
• b: 7.9561 ± 0.0001 Å
• c: 8.2785 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 524.03 ± 0.02 ų
• Cell temperature: 296 ± 0.2 K
• Ambient diffraction temperature: 296 ± 0.2 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: 0.0739
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No