Information card for entry 1557604

Structure parameters

• Formula: C20 H44 Cl2 N2 O2 P2 U
• Calculated formula: C20 H44 Cl2 N2 O2 P2 U
• SMILES: [U]12(N(P(C(C)C)C(C)C)CC[O]2CCN1P(C(C)C)C(C)C)(Cl)(Cl)[O]1CCCC1
• 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: 12.7105 ± 0.001 Å
• b: 28.115 ± 0.002 Å
• c: 8.1727 ± 0.0007 Å
• α: 90°
• β: 105.391 ± 0.002°
• γ: 90°
• Cell volume: 2815.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No