Information card for entry 7132718

Structure parameters

• Chemical name: 4
• Formula: C40 H98 N10 P4 U2
• Calculated formula: C40 H96 N10 P4 U2
• SMILES: [U]123(=[N]=[U]45(=[N]=1)(N(P(C(C)C)C(C)C)CC[N]4(C)C)N(P(C(C)C)C(C)C)CC[N]5(C)C)([N](CCN2P(C(C)C)C(C)C)(C)C)[N](C)(CCN3P(C(C)C)C(C)C)C
• Title of publication: Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.
• Authors of publication: Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 21
• Pages of publication: 2966 - 2969
• a: 10.769 ± 0.003 Å
• b: 13.579 ± 0.003 Å
• c: 20.817 ± 0.005 Å
• α: 82.853 ± 0.006°
• β: 79.684 ± 0.006°
• γ: 69.571 ± 0.005°
• Cell volume: 2800.2 ± 1.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No