Information card for entry 4313639

Structure parameters

• Formula: C38 H70 B2 I N8 U
• Calculated formula: C38 H56 B2 I N8 U
• SMILES: [U]12(I)([n]3n(c(cc3C(C)(C)C)C)[BH2]n3[n]1c(cc3C(C)(C)C)C)[n]1n(c(cc1C)C(C)(C)C)[BH2]n1[n]2c(cc1C)C(C)(C)C.CCCCCC
• Title of publication: Synthesis and Structural Characterization of Unprecedented Bis-Asymmetric Heteroscorpionate U(III) Complexes: [U{κ3-H2B(pztBu,Me)(pzMe,tBu)}2I] and [U{κ3-H2B(pztBu,Me)(pzMe2)}2I]
• Authors of publication: Leonor Maria; Ângela Domingos; Isabel Santos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3323 - 3330
• a: 12.01 ± 0.001 Å
• b: 14.103 ± 0.002 Å
• c: 14.137 ± 0.002 Å
• α: 84.07 ± 0.01°
• β: 85.5 ± 0.01°
• γ: 76.96 ± 0.01°
• Cell volume: 2316.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections: 0.1514
• Weighted residual factors for significantly intense reflections: 0.1217
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No