Information card for entry 7046242

Structure parameters

• Formula: C46 H54 B3 I N14 S6 U
• Calculated formula: C46 H54 B3 I N14 S6 U
• 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: 14.2831 ± 0.0003 Å
• b: 14.6707 ± 0.0003 Å
• c: 14.6867 ± 0.0004 Å
• α: 84.077 ± 0.001°
• β: 65.376 ± 0.001°
• γ: 85.071 ± 0.001°
• Cell volume: 2779.56 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No