Information card for entry 1567302

Structure parameters

• Formula: C86 H178 O26 Rb2 Si6 U2
• Calculated formula: C86 H178 O26 Rb2 Si6 U2
• Title of publication: Cation assisted binding and cleavage of dinitrogen by uranium complexes
• Authors of publication: Jori, Nadir; Rajeshkumar, Thayalan; Scopelliti, Rosario; Z̆ivković, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 9232 - 9242
• a: 14.484 ± 0.0002 Å
• b: 17.573 ± 0.0003 Å
• c: 25.4883 ± 0.0004 Å
• α: 79.6962 ± 0.0013°
• β: 89.4157 ± 0.0013°
• γ: 67.026 ± 0.0016°
• Cell volume: 5863.83 ± 0.18 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No