Information card for entry 1545550

Structure parameters

• Formula: C100 H112 N8 O2 S2 U2
• Calculated formula: C100 H112 N8 O2 S2 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: 17.3745 ± 0.0005 Å
• b: 34.224 ± 0.0008 Å
• c: 17.013 ± 0.0005 Å
• α: 90°
• β: 112.037 ± 0.003°
• γ: 90°
• Cell volume: 9377.3 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No