Information card for entry 7130512

Structure parameters

• Formula: C56 H92 B2 N12 O2 P U
• Calculated formula: C56 H92 B2 N12 O2 P U
• SMILES: [U]1234(OCCCCPc5c(cc(cc5C(C)(C)C)C(C)(C)C)C(C)(C)C)([n]5n(c(cc5C)C)[BH](n5[n]1c(C)cc5C)n1[n]2c(C)cc1C)[n]1n(c(cc1C)C)[BH](n1[n]3c(C)cc1C)n1[n]4c(C)cc1C.O(CC)CC
• 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: 13.1649 ± 0.0004 Å
• b: 13.9998 ± 0.0004 Å
• c: 18.9583 ± 0.0006 Å
• α: 97.82 ± 0.002°
• β: 94.859 ± 0.002°
• γ: 116.996 ± 0.001°
• Cell volume: 3041.7 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No