Information card for entry 4309756

Structure parameters

• Formula: C79 H73 N2 O19 P6 Re3 U
• Calculated formula: C79 H73 N2 O19 P6 Re3 U
• SMILES: [U]123([O]=P(c4ccccc4)(CP(=[O]3)(c3ccccc3)c3ccccc3)c3ccccc3)(O[Re](=O)(=O)=O)([O]=P(c3ccccc3)(c3ccccc3)CP(=[O]1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(CP(=[O]2)(c1ccccc1)c1ccccc1)c1ccccc1)O.[Re](=O)(=O)(=O)[O-].[Re](=O)(=O)(=O)[O-].N#CC.C(#N)C
• Title of publication: The Synthesis, Structural, and Spectroscopic Characterization of Uranium(IV) Perrhenate Complexes
• Authors of publication: Gordon H. John; Iain May; Clint A. Sharrad; Andrew D. Sutton; David Collison; Madeleine Helliwell; Mark J. Sarsfield
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7606 - 7615
• a: 13.2883 ± 0.0007 Å
• b: 29.7796 ± 0.0016 Å
• c: 20.2358 ± 0.0011 Å
• α: 90°
• β: 90.171 ± 0.001°
• γ: 90°
• Cell volume: 8007.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No