Information card for entry 7110387

Structure parameters

• Formula: C48.5 H58 Cl3 Lu N14 O7.5
• Calculated formula: C48.5 H42 Cl3 Lu N14 O7.5
• Title of publication: Strong intramolecular π‒π interactions favor the formation of 2:1 (L:M) lanthanide complexes of tris(2-benzimidazolylmethyl)amine
• Authors of publication: Wietzke, Raphaël; Mazzanti, Marinella
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 2
• Pages of publication: 209
• a: 28.034 ± 0.0001 Å
• b: 14.8758 ± 0.0001 Å
• c: 27.7355 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11566.5 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1555
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections: 0.2566
• Weighted residual factors for significantly intense reflections: 0.2266
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No