Information card for entry 7011765

Structure parameters

• Formula: C51 H42 Ce I3 N12
• Calculated formula: C51 H33 Ce I3 N12
• Title of publication: The affinity and selectivity of terdentate nitrogen ligands towards trivalent lanthanide and uranium ions viewed from the crystal structures of the 1 ∶ 3 complexes
• Authors of publication: Jean-Claude Berthet; Yannick Miquel; Peter B. Iveson; Martine Nierlich; Pierre Thuéry; Charles Madic; Michel Ephritikhine
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3265 - 3272
• a: 12.618 ± 0.0018 Å
• b: 12.618 ± 0.0018 Å
• c: 27.903 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3847.4 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No