Information card for entry 1567298

Structure parameters

• Formula: C78 H176 O25 Rb2 Si6 U2
• Calculated formula: C78 H176 O25 Rb2 Si6 U2
• 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: 14.04416 ± 0.00015 Å
• b: 29.0153 ± 0.0003 Å
• c: 27.517 ± 0.0003 Å
• α: 90°
• β: 91.0486 ± 0.0009°
• γ: 90°
• Cell volume: 11211.2 ± 0.2 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No