Information card for entry 4110637

Structure parameters

• Formula: C35 H35 I2 K N7 O2 U
• Calculated formula: C35 H35 I2 K N7 O2 U
• SMILES: [U](=O)(=O)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[I-].[I-].[K+].n1ccccc1.n1ccccc1
• Title of publication: Synthesis and Structure of a Stable Pentavalent-Uranyl Coordination Polymer
• Authors of publication: Louise Natrajan; Fabien Burdet; Jacques Pécaut; Marinella Mazzanti
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 7152 - 7153
• a: 12.9427 ± 0.0018 Å
• b: 19.328 ± 0.003 Å
• c: 16.081 ± 0.002 Å
• α: 90°
• β: 100.639 ± 0.002°
• γ: 90°
• Cell volume: 3953.6 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0166
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No