Information card for entry 1557609

Structure parameters

• Formula: C44 H96 Cl4 N4 Ni2 O5 P4 U2
• Calculated formula: C44 H96 Cl4 N4 Ni2 O5 P4 U2
• SMILES: [U]1234(N5[P]([Ni]6[Cl]3[U]378(N([P]6(C(C)C)C(C)C)CC[O]7CCN3[P]([Ni]([Cl]28)[P](N1CC[O]4CC5)(C(C)C)C(C)C)(C(C)C)C(C)C)Cl)(C(C)C)C(C)C)Cl.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands
• Authors of publication: Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 29
• Pages of publication: 7585 - 7592
• a: 14.5223 ± 0.0019 Å
• b: 15.8953 ± 0.0018 Å
• c: 27.339 ± 0.003 Å
• α: 90°
• β: 103.728 ± 0.003°
• γ: 90°
• Cell volume: 6130.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No