Information card for entry 1567303

Structure parameters

• Formula: C144 H324 Cs8 N4 O50 Si12 U4
• Calculated formula: C144 H324 Cs8 N4 O50 Si12 U4
• 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: 14.2492 ± 0.0003 Å
• b: 30.7972 ± 0.0006 Å
• c: 30.9557 ± 0.0005 Å
• α: 115.848 ± 0.0018°
• β: 95.2709 ± 0.0016°
• γ: 98.8528 ± 0.0018°
• Cell volume: 11885.2 ± 0.5 ų
• Cell temperature: 219.99 ± 0.1 K
• Ambient diffraction temperature: 219.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No