Information card for entry 7000111

Structure parameters

• Formula: C26 H38 B Cl2 N7 Si U
• Calculated formula: C26 H38 B Cl2 N7 Si U
• SMILES: [U]12(Cl)(Cl)(N=C(C[Si](C)(C)C)c3ccccc3)[n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C
• Title of publication: The uranium-nitrogen bond in U IV complexes supported by the hydrotris(3,5-dimethylpyrazolyl)borate ligand.
• Authors of publication: Silva, Manuela; Antunes, Maria Augusta; Dias, Marta; Domingos, Angela; dos Santos, Isabel Cordeiro; Marçalo, Joaquim; Marques, Noémia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 20
• Pages of publication: 3353 - 3358
• a: 20.948 ± 0.003 Å
• b: 10.53 ± 0.001 Å
• c: 15.012 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3311.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1539
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No