Information card for entry 4309103

Structure parameters

• Formula: C18 H18 Ce I3 N4
• Calculated formula: C18 H18 Ce I3 N4
• SMILES: [Ce]123(I)(I)(I)[n]4c(C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)cccc4
• Title of publication: Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation
• Authors of publication: Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4756 - 4765
• a: 9.4958 ± 0.0019 Å
• b: 14.668 ± 0.003 Å
• c: 16.946 ± 0.003 Å
• α: 90°
• β: 101.19 ± 0.03°
• γ: 90°
• Cell volume: 2315.4 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No