Information card for entry 7132389

Structure parameters

• Formula: C112 O48 Si28 U4
• Calculated formula: C112 O48 Si28 U4
• SMILES: [U]12345[O]6[U]789%10[O]%11%12[U]%13%14([O]%15[U]%16%17%11(O[Si]%11(O[Si]%18(O[Si](O[Si]%19(O[Si]([O]1%16)(O[Si](O%11)(O[Si](O%18)(O%19)CC(C)C)CC(C)C)CC(C)C)CC(C)C)([O]38%17)CC(C)C)CC(C)C)CC(C)C)[O]4%14[Si]1(O[Si]3(O[Si]%15(O[Si]4(O[Si](O%13)(O[Si](O1)(O[Si](O4)(O3)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)([O]27[Si]1(O[Si]2(O[Si]3(O[Si](O[Si](O2)(O5)CC(C)C)(O[Si]6(O[Si](O1)(O3)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)[O]9[Si]1(O[Si]2(O[Si](O[Si]3(O[Si]%12(O[Si](O1)(O[Si](O3)(O2)CC(C)C)CC(C)C)CC(C)C)CC(C)C)(O%10)CC(C)C)CC(C)C)CC(C)C
• Title of publication: A trinuclear metallasilsesquioxane of uranium(III).
• Authors of publication: Tricoire, Maxime; Jori, Nadir; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Z Ivković, Ivica; Natrajan, Louise S.; Mazzanti, Marinella
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 60
• Journal issue: 1
• Pages of publication: 55 - 58
• a: 33.7165 ± 0.0007 Å
• b: 33.7274 ± 0.0005 Å
• c: 35.24 ± 0.0009 Å
• α: 90°
• β: 101.864 ± 0.002°
• γ: 90°
• Cell volume: 39217.8 ± 1.4 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1456
• Residual factor for significantly intense reflections: 0.1234
• Weighted residual factors for significantly intense reflections: 0.3271
• Weighted residual factors for all reflections included in the refinement: 0.3366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No