Information card for entry 7034432

Structure parameters

• Common name: pentaammine dioxido uranium dibromide ammoniate
• Chemical name: pentaammine dioxido uranium(VI) dibromide ammoniate (1/1)
• Formula: Br2 H18 N6 O2 U
• Calculated formula: Br2 H12 N6 O2 U
• Title of publication: [UO2(NH3)5]Br2·NH3: synthesis, crystal structure, and speciation in liquid ammonia solution by first-principles molecular dynamics simulations.
• Authors of publication: Woidy, Patrick; Bühl, Michael; Kraus, Florian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7332 - 7337
• a: 13.2499 ± 0.0002 Å
• b: 10.5536 ± 0.0001 Å
• c: 8.9126 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1246.29 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No