Information card for entry 7000113

Structure parameters

• Formula: C27 H32 B Cl2 N7 U
• Calculated formula: C27 H32 B Cl2 N7 U
• SMILES: [U]12(Cl)(Cl)([n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C)N(c1ccccc1)c1ccccc1
• 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: 8.1647 ± 0.0011 Å
• b: 10.2881 ± 0.0011 Å
• c: 18.947 ± 0.002 Å
• α: 75.667 ± 0.009°
• β: 88.415 ± 0.011°
• γ: 78.416 ± 0.01°
• Cell volume: 1510.2 ± 0.3 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: 0.1762
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No