Information card for entry 7028617

Structure parameters

• Formula: C36 H30 Br2 O4 P2 U
• Calculated formula: C36 H30 Br2 O4 P2 U
• SMILES: c1(ccccc1)P(=[O][U](=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(=O)(Br)Br)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, structure and photophysical properties of [UO2X2(O=PPh3)2] (X = Cl, Br, I).
• Authors of publication: Hashem, Emtithal; McCabe, Thomas; Schulzke, Carola; Baker, Robert J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1125 - 1131
• a: 9.2695 ± 0.0019 Å
• b: 10.43 ± 0.002 Å
• c: 18.221 ± 0.004 Å
• α: 90°
• β: 97.91 ± 0.03°
• γ: 90°
• Cell volume: 1744.9 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.1176
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.2766
• Weighted residual factors for all reflections included in the refinement: 0.2991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No