Information card for entry 7008209

Structure parameters

• Formula: C24 H28 I2 N3 U
• Calculated formula: C24 H28 I2 N3 U
• SMILES: [U]1234(I)(I)([n]5ccccc5)([n]5ccccc5)([n]5ccccc5)[c]5([cH]4[cH]3[cH]2[cH]15)C(C)(C)C
• Title of publication: The distinct affinity of cyclopentadienyl ligands towards trivalent uranium over lanthanide ions. Evidence for cooperative ligation and back-bonding in the actinide complexes.
• Authors of publication: Mehdoui, Thouraya; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 7
• Pages of publication: 1263 - 1272
• a: 8.4321 ± 0.0013 Å
• b: 8.8209 ± 0.0014 Å
• c: 19.053 ± 0.003 Å
• α: 102.423 ± 0.009°
• β: 93.827 ± 0.008°
• γ: 108.547 ± 0.009°
• Cell volume: 1298 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No