Information card for entry 4314238

Structure parameters

• Formula: C18 H21 I3 N4
• Calculated formula: C18 H21 I3 N4
• SMILES: C(c1cccc[nH+]1)N(Cc1cccc[nH+]1)Cc1cccc[nH+]1.[I-].[I-].[I-]
• Title of publication: Oxidation Chemistry of Uranium(III) Complexes of Tpa: Synthesis and Structural Studies of Oxo, Hydroxo, and Alkoxo Complexes of Uranium(IV)
• Authors of publication: Lydia Karmazin; Marinella Mazzanti; Jacques Pécaut
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5900 - 5908
• a: 13.2054 ± 0.0003 Å
• b: 13.2054 ± 0.0003 Å
• c: 13.2054 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2302.79 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No