Information card for entry 4311865

Structure parameters

• Formula: C12 H36 Br2 N6 O4 P2 U
• Calculated formula: C12 H36 Br2 N6 O4 P2 U
• SMILES: O=[U](Br)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)(=O)Br
• Title of publication: Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides
• Authors of publication: Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7120 - 7126
• a: 10.4645 ± 0.0001 Å
• b: 10.4645 ± 0.0001 Å
• c: 23.7805 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2604.1 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 202 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No