Information card for entry 4322061

Structure parameters

• Formula: C23 H39 Ce Cl3 N3 O10
• Calculated formula: C23 H27 Ce Cl3 N3 O10
• 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: 10.983 ± 0.005 Å
• b: 16.96 ± 0.006 Å
• c: 9.058 ± 0.004 Å
• α: 90°
• β: 98.03 ± 0.07°
• γ: 90°
• Cell volume: 1670.7 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections: 0.2379
• Weighted residual factors for significantly intense reflections: 0.2084
• Goodness-of-fit parameter for all reflections: 2.392
• Goodness-of-fit parameter for significantly intense reflections: 2.392
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No