Information card for entry 1570267

Structure parameters

• Formula: C96 H207 K2 N6 O33 Si5 U2
• Calculated formula: C96 H207 K2 N6 O33 Si5 U2
• Title of publication: Dinitrogen cleavage by a dinuclear uranium(iii) complex.
• Authors of publication: Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 46
• Pages of publication: 13485 - 13494
• a: 16.3644 ± 0.0003 Å
• b: 30.3735 ± 0.0006 Å
• c: 32.886 ± 0.0006 Å
• α: 111.001 ± 0.0018°
• β: 94.4333 ± 0.0017°
• γ: 104.113 ± 0.0018°
• Cell volume: 14552.5 ± 0.5 ų
• Cell temperature: 139.99 ± 0.1 K
• Ambient diffraction temperature: 139.99 ± 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: 0.1068
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No