Information card for entry 4322063

Structure parameters

• Formula: C23 H43 Cl3 Lu N3 O12
• Calculated formula: C23 H27 Cl3 Lu N3 O12
• Title of publication: Synthesis, X-ray Structure, and Solution NMR Studies of Ln(III) Complexes with a Macrocyclic Asymmetric Compartmental Schiff Base. Preference of the Ln(III) Ions for a Crown-Like Coordination Site
• Authors of publication: Umberto Casellato; Sergio Tamburini; Patrizia Tomasin; Pietro A. Vigato; Silvio Aime; Mauro Botta
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2906 - 2916
• a: 15.269 ± 0.005 Å
• b: 11.484 ± 0.005 Å
• c: 19.389 ± 0.007 Å
• α: 90°
• β: 102.85 ± 0.06°
• γ: 90°
• Cell volume: 3315 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.1071
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections: 0.329
• Weighted residual factors for significantly intense reflections: 0.2028
• Goodness-of-fit parameter for all reflections: 1.965
• Goodness-of-fit parameter for significantly intense reflections: 1.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No