Information card for entry 1567301

Structure parameters

• Formula: C79 H170 Cs2 O26 Si6 U2
• Calculated formula: C79 H170 Cs2 O26 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: 14.3992 ± 0.0005 Å
• b: 14.5329 ± 0.0005 Å
• c: 30.7352 ± 0.0007 Å
• α: 88.132 ± 0.002°
• β: 79.13 ± 0.002°
• γ: 60.661 ± 0.003°
• Cell volume: 5492.7 ± 0.3 ų
• Cell temperature: 140 ± 0.3 K
• Ambient diffraction temperature: 140 ± 0.3 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: 0.0644
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No