Information card for entry 1545552

Structure parameters

• Formula: C106 H130 B K N8 O5 U2
• Calculated formula: C106 H130 B K N8 O5 U2
• Title of publication: Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
• Authors of publication: Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 3609
• a: 29.6933 ± 0.0004 Å
• b: 29.9161 ± 0.0004 Å
• c: 10.8656 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9652 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No