Information card for entry 1557606

Structure parameters

• Formula: C40 H88 Cl4 N4 O4 P4 Pd2 U2
• Calculated formula: C40 H88 Cl4 N4 O4 P4 Pd2 U2
• SMILES: C1C[O]2CCN3[P](C(C)C)(C(C)C)[Pd]4[Cl][U]56([O]7CCCC7)(N(CC[O]6CCN5[P](C(C)C)(C(C)C)[Pd]5[P](N1[U]23([O]1CCCC1)(Cl)[Cl]5)(C(C)C)C(C)C)[P]4(C(C)C)C(C)C)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: 16.3226 ± 0.0016 Å
• b: 22.813 ± 0.002 Å
• c: 14.7718 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5500.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No