Information card for entry 7046239

Structure parameters

• Formula: C78 H97 B4 I2 N27 S8 U2
• Calculated formula: C78 H97 B4 I2 N27 S8 U2
• Title of publication: Uranium(iii) complexes supported by hydrobis(mercaptoimidazolyl)borates: synthesis and oxidation chemistry.
• Authors of publication: Maria, Leonor; Santos, Isabel C.; Santos, Isabel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10601 - 10612
• a: 12.0828 ± 0.0007 Å
• b: 21.5636 ± 0.001 Å
• c: 19.5689 ± 0.001 Å
• α: 90°
• β: 95.239 ± 0.002°
• γ: 90°
• Cell volume: 5077.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No