Information card for entry 4309437

Structure parameters

• Formula: C28 H26 F9 N5 O10 S3 U
• Calculated formula: C28 H25 F9 N5 O10 S3 U
• SMILES: [U](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(=O)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.n1ccccc1
• Title of publication: Practical Synthetic Routes to Solvates of U(OTf)3: X-ray Crystal Structure of [U(OTf)3(MeCN)3]n, a Unique U(III) Coordination Polymer
• Authors of publication: Louise Natrajan; Marinella Mazzanti; Jean-Philippe Bezombes; Jacques Pécaut
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6115 - 6121
• a: 20.3563 ± 0.0017 Å
• b: 11.6181 ± 0.001 Å
• c: 16.2844 ± 0.0014 Å
• α: 90°
• β: 94.58 ± 0.002°
• γ: 90°
• Cell volume: 3839 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No