Information card for entry 4309438

Structure parameters

• Formula: C23 H20 F9 N4 O9.5 S3 U
• Calculated formula: C23 H20 F9 N4 O9.5 S3 U
• 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: 14.055 ± 0.004 Å
• b: 13.973 ± 0.004 Å
• c: 18.653 ± 0.006 Å
• α: 90°
• β: 110.751 ± 0.005°
• γ: 90°
• Cell volume: 3425.6 ± 1.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No