Information card for entry 1557605

Structure parameters

• Formula: C18 H40 Cl2 N2 O2 P2 U
• Calculated formula: C18 H40 Cl2 N2 O2 P2 U
• SMILES: [U]123(N(P(C(C)C)C(C)C)CC[O]1CC[O]2CCN3P(C(C)C)C(C)C)(Cl)Cl
• 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: 14.48 ± 0.002 Å
• b: 14.59 ± 0.002 Å
• c: 12.5668 ± 0.0018 Å
• α: 90°
• β: 102.29 ± 0.004°
• γ: 90°
• Cell volume: 2594.1 ± 0.6 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: 0.0776
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No