Information card for entry 4311750

Structure parameters

• Chemical name: bis(hydrotris(3,5-dimethylpyrazolyl)borato)(diphenylamido) uranium(III)
• Formula: C49 H62 B2 N13 U
• Calculated formula: C49 H54 B2 N13 U
• Title of publication: Uranium (III) Scorpionates: Synthesis and Structure of [(TpMe2)2U{N(C6H5)2}] and [(TpMe2)2U{N(SiMe3)2}]
• Authors of publication: Maria Augusta Antunes; Gregory M. Ferrence; Ângela Domingos; Robert McDonald; Carol J. Burns; Josef Takats; Noémia Marques
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6640 - 6643
• a: 16.76 ± 0.003 Å
• b: 16.996 ± 0.002 Å
• c: 17.581 ± 0.002 Å
• α: 90°
• β: 98.632 ± 0.017°
• γ: 90°
• Cell volume: 4951.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No