Information card for entry 7019236

Structure parameters

• Formula: C39 H55 B2 N13 U
• Calculated formula: C39 H55 B2 N13 U
• SMILES: [U]1234([n]5n(c(cc5C)C)[BH](n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)(=Nc1c(cc(cc1C)C)C)[n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(cc1C)C
• Title of publication: Synthesis of U(iv) imidos from Tp*(2)U(CH(2)Ph) (Tp* = hydrotris(3,5-dimethylpyrazolyl)borate) by extrusion of bibenzyl.
• Authors of publication: Matson, Ellen M.; Crestani, Marco G.; Fanwick, Phillip E.; Bart, Suzanne C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7952 - 7958
• a: 15.3252 ± 0.0005 Å
• b: 14.1075 ± 0.0004 Å
• c: 19.9873 ± 0.0004 Å
• α: 90°
• β: 106.487 ± 0.002°
• γ: 90°
• Cell volume: 4143.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No