Information card for entry 2015370

Structure parameters

• Common name: (18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV)
• Chemical name: (1,4,7,10,13,16-hexaoxacyclooctadecane-1κ^6^O)-μ-oxo-1:2κ^2^O:O- hexakis(tetrahydroborato)-1κ^3^H;2κ^4^H;2κ^9^H-diuranium(IV)
• Formula: C12 H48 B6 O7 U2
• Calculated formula: C12 H48 B6 O7 U2
• SMILES: [U]12345(O[U])([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6).[BH4-].[BH4-].[BH4-].[BH4-].[BH4-].[BH4-]
• Title of publication: (18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV): an unprecedented asymmetric dinuclear complex
• Authors of publication: Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m243 - m245
• a: 16.4251 ± 0.0007 Å
• b: 10.2676 ± 0.0005 Å
• c: 16.355 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2758.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes