Information card for entry 1567300

Structure parameters

• Formula: C72 H162 Na O25 Si6 U2
• Calculated formula: C72 H162 Na O25 Si6 U2
• SMILES: [U]12(O[U]34([O]1[Si](OC(C)(C)C)(OC(C)(C)C)[O]2C(C)(C)C)[O]1[Si](OC(C)(C)C)(OC(C)(C)C)[O]([Na]21([O]3[Si](OC(C)(C)C)([O]2C(C)(C)C)OC(C)(C)C)[O]([Si](O4)(OC(C)(C)C)OC(C)(C)C)C(C)(C)C)C(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• 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: 13.8302 ± 0.0003 Å
• b: 31.0949 ± 0.0004 Å
• c: 14.0653 ± 0.0004 Å
• α: 90°
• β: 118.148 ± 0.003°
• γ: 90°
• Cell volume: 5333.4 ± 0.3 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No