Information card for entry 7132387

Structure parameters

• Formula: C102 H225 N2 O42 Si21 U3
• Calculated formula: C102 H225 N2 O42 Si21 U3
• SMILES: [U]123456O[Si]7(O[Si]8(O[Si]9(O[Si](O[Si](O3)(O8)CC(C)C)(O[Si]([O]1[Si](O7)(O9)CC(C)C)([O]2[U]1237(O[Si]8(O[Si]9(O[Si]%10(O[Si]%11(O[Si](O9)(O[Si](O8)(O[Si]8([O]%11[U]9%11%12([O]418)([O]2%10)O[Si]1(O[Si]2(O[Si]4(O[Si](O1)(O[Si](O[Si](O4)(O[Si]([O]63%11)([O]%122)CC(C)C)CC(C)C)([O]59)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)[O]1CCN2CCOCCOCCN(CC[O]7CC1)CCOCCOCC2)CC(C)C)CC(C)C)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: 18.0726 ± 0.0004 Å
• b: 19.32 ± 0.0004 Å
• c: 25.3604 ± 0.0005 Å
• α: 98.4318 ± 0.0018°
• β: 90.6353 ± 0.0018°
• γ: 110.969 ± 0.002°
• Cell volume: 8159.7 ± 0.3 ų
• Cell temperature: 139.98 ± 0.11 K
• Ambient diffraction temperature: 139.98 ± 0.11 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: 0.0891
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No