Information card for entry 1570266

Structure parameters

• Formula: C97 H206 K2.7 N4 O31 Si6 U2
• Calculated formula: C97 H206 K2.7 N4 O31 Si6 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: 14.1801 ± 0.0002 Å
• b: 29.9313 ± 0.0006 Å
• c: 33.7708 ± 0.0006 Å
• α: 90°
• β: 93.6381 ± 0.0018°
• γ: 90°
• Cell volume: 14304.4 ± 0.4 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No