Information card for entry 1564376

Structure parameters

• Formula: C110 H128 B2 N14 Si4 U2
• Calculated formula: C110 H128 B2 N14 Si4 U2
• SMILES: C[Si](C)(N([U]1([n]2ccccc2)([n]2ccccc2)([n]2ccccc2)N[U](N1)(N([Si](C)(C)C)[Si](C)(C)C)[n]1ccccc1)[Si](C)(C)C)C.n1ccccc1.n1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Nitride Protonation and NH3 Binding versus N‒H Bond Cleavage in Uranium Nitrides
• Authors of publication: Keener, Megan; Scopelliti, Rosario; Mazzanti, Marinella
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 13.3639 ± 0.0003 Å
• b: 14.7692 ± 0.0003 Å
• c: 17.1055 ± 0.0004 Å
• α: 103.786 ± 0.0018°
• β: 98.6207 ± 0.0018°
• γ: 115.188 ± 0.002°
• Cell volume: 2843.26 ± 0.13 ų
• Cell temperature: 140.01 ± 0.1 K
• Ambient diffraction temperature: 140.01 ± 0.1 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: 0.0311
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No