Information card for entry 4308881

Structure parameters

• Formula: C27 H39 I U
• Calculated formula: C27 H39 I U
• SMILES: [U]123456789%10%11%12(I)([c]%13([cH]1[c]2([c]3([c]4%13C)C)C)C)([c]1([cH]5[c]6([c]7([c]81C)C)C)C)[c]1([cH]9[c]%10([c]%11([c]1%12C)C)C)C
• Title of publication: Facile Syntheses of Unsolvated UI3 and Tetramethylcyclopentadienyl Uranium Halides
• Authors of publication: William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Anatolii A. Fagin; Mikhail N. Bochkarev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3993 - 4000
• a: 21.4984 ± 0.001 Å
• b: 21.4984 ± 0.001 Å
• c: 21.4984 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9936.2 ± 0.8 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 4
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No