Information card for entry 7130510

Structure parameters

• Formula: C48 H74 B2 N12 P U
• Calculated formula: C48 H74 B2 N12 P U
• SMILES: [U]1234(Pc5c(cc(cc5C(C)(C)C)C(C)(C)C)C(C)(C)C)([n]5n(c(C)cc5C)[BH](n5[n]1c(cc5C)C)n1[n]2c(C)cc1C)[n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(C)cc1C
• Title of publication: Isolation of uranium(iii) primary phosphido complexes
• Authors of publication: Perales, Diana; Bhowmick, Rina; Zeller, Matthias; Miro, Pere; Vlaisavljevich, Bess; Bart, Suzanne C.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 23.1916 ± 0.0008 Å
• b: 10.9114 ± 0.0003 Å
• c: 23.5679 ± 0.0008 Å
• α: 90°
• β: 118.915 ± 0.001°
• γ: 90°
• Cell volume: 5220.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No