Information card for entry 2233845

Structure parameters

• Chemical name: {4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κ<i>O</i>)amino- κ<i>N</i>]methylidene}hydrazinylidene-κ<i>N</i>^1^)methyl]phenolato- κ<i>O</i>}(butan-2-ol-κ<i>O</i>)dioxidouranium(VI)
• Formula: C21 H24 Br N3 O5 S U
• Calculated formula: C21 H24 Br N3 O5 S U
• Title of publication: {4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]methylidene}hydrazinylidene-κ<i>N</i>^1^)methyl]phenolato-κ<i>O</i>}(butan-2-ol-κ<i>O</i>)dioxidouranium(VI)
• Authors of publication: Takjoo, Reza; Ahmadi, Mehdi; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m279 - m280
• a: 11.4795 ± 0.0002 Å
• b: 14.645 ± 0.0003 Å
• c: 14.3383 ± 0.0006 Å
• α: 90°
• β: 98.094 ± 0.003°
• γ: 90°
• Cell volume: 2386.5 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes