Information card for entry 1567305

Structure parameters

• Formula: C72 H162 Cs2 O25 Si6 U2
• Calculated formula: C72 H162 Cs2 O25 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: 25.3833 ± 0.0004 Å
• b: 25.3833 ± 0.0004 Å
• c: 65.6666 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 42309.8 ± 1.4 ų
• Cell temperature: 140.1 ± 0.5 K
• Ambient diffraction temperature: 140.1 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No