Information card for entry 7008205

Structure parameters

• Formula: C28 H36 I N2 Nd
• Calculated formula: C28 H36 I N2 Nd
• SMILES: [Nd]12345678(I)([n]9ccccc9)([n]9ccccc9)([c]9([cH]4[cH]3[cH]2[cH]19)C(C)(C)C)[c]1([cH]8[cH]7[cH]6[cH]51)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: 20.3034 ± 0.0003 Å
• b: 26.7966 ± 0.0006 Å
• c: 16.9004 ± 0.0003 Å
• α: 90°
• β: 113.365 ± 0.002°
• γ: 90°
• Cell volume: 8440.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No