Information card for entry 7129807

Structure parameters

• Formula: C72 H135 Mo N Na O12 P2 Si3 U
• Calculated formula: C72 H135 Mo N Na O12 P2 Si3 U
• SMILES: [U]12(O[Si](OC(C)(C)C)(OC(C)(C)C)[O]([Na]34([O]1[Si](OC(C)(C)C)([O]3C(C)(C)C)OC(C)(C)C)[O]2[Si](OC(C)(C)C)(OC(C)(C)C)[O]4C(C)(C)C)C(C)(C)C)=N[Mo]1234567[P](c8c([c]92[cH]3[cH]4[c]5([cH]6[cH]79)c2ccccc2[P]1(C(C)C)C(C)C)cccc8)(C(C)C)C(C)C.CCCCCC
• Title of publication: Heterometallic uranium/molybdenum nitride synthesis <i>via</i> partial N-atom transfer.
• Authors of publication: Barluzzi, Luciano; Jori, Nadir; He, Tianyi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Oyala, Paul; Agapie, Theodor; Mazzanti, Marinella
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 29
• Pages of publication: 4655 - 4658
• a: 13.6525 ± 0.0002 Å
• b: 16.4788 ± 0.0004 Å
• c: 19.2469 ± 0.0004 Å
• α: 81.3024 ± 0.0019°
• β: 79.5672 ± 0.0016°
• γ: 82.5868 ± 0.0018°
• Cell volume: 4186.48 ± 0.15 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No