Information card for entry 7023121

Structure parameters

• Formula: C30 H44 B2 I N12 U
• Calculated formula: C30 H44 B2 I N12 U
• SMILES: [U]12345(I)([n]6n(c(cc6C)C)[BH](n6[n]1c(cc6C)C)n1[n]2c(cc1C)C)[n]1n(c(C)cc1C)[BH]([n]13[n]4c(cc1C)C)n1[n]5c(cc1C)C
• Title of publication: Crystal structure diversity in the bis[hydrotris(3,5-dimethylpyrazolyl)borate]iodouranium(III) complex: from neutral to cationic forms.
• Authors of publication: Antunes, Maria Augusta; Santos, Isabel C.; Bolvin, Hélène; Pereira, Laura C. J.; Mazzanti, Marinella; Marçalo, Joaquim; Almeida, Manuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8861 - 8867
• a: 11.3449 ± 0.0003 Å
• b: 11.779 ± 0.0002 Å
• c: 14.8966 ± 0.0003 Å
• α: 82.721 ± 0.005°
• β: 86.981 ± 0.007°
• γ: 64.714 ± 0.006°
• Cell volume: 1785.42 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0197
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No