Information card for entry 4309105

Structure parameters

• Formula: C42 H45 Ce I3 N11
• Calculated formula: C42 H45 Ce I3 N11
• SMILES: [Ce]123456([N](Cc7[n]1cccc7)(Cc1[n]2cccc1)Cc1[n]3cccc1)[N](Cc1[n]4cccc1)(Cc1[n]5cccc1)Cc1[n]6cccc1.[I-].[I-].[I-].N#CC.N#CC.N#CC
• 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: 12.004 ± 0.002 Å
• b: 18.072 ± 0.004 Å
• c: 22.267 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4830.5 ± 1.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No