Information card for entry 7105745

Structure parameters

• Formula: C37 H64 N4 Si5 U
• Calculated formula: C37 H64 N4 Si5 U
• SMILES: [U]12(N([Si](C([Si](N1c1cc(C)cc(C)c1)(C)C)[Si](N2c1cc(C)cc(C)c1)(C)C)(C)C)c1cc(cc(c1)C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Structural and theoretical insights into the perturbation of uranium–rhenium bonds by dative Lewis base ancillary ligands
• Authors of publication: Dipti Patel; David King; Benedict Gardner; Jonathan McMaster; William Lewis; Alexander Blake; Stephen Liddle
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 295
• a: 16.1847 ± 0.0004 Å
• b: 11.3466 ± 0.0002 Å
• c: 23.8954 ± 0.0005 Å
• α: 90°
• β: 94.371 ± 0.002°
• γ: 90°
• Cell volume: 4375.42 ± 0.16 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No