Information card for entry 4318146

Structure parameters

• Formula: C68 H94 Cl3 La N16 O23
• Calculated formula: C68 H78 Cl3 La N16 O23
• Title of publication: Synthesis, Structures, and Magnetic Properties of a Series of Lanthanum(III) and Gadolinium(III) Complexes with Chelating Benzimidazole-Substituted Nitronyl Nitroxide Free Radicals. Evidence for Antiferromagnetic GdIII-Radical Interactions
• Authors of publication: Christophe Lescop; Elie Belorizky; Dominique Luneau; Paul Rey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3375 - 3384
• a: 21.125 ± 0.003 Å
• b: 21.125 ± 0.003 Å
• c: 10.938 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4881.3 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections: 0.3126
• Weighted residual factors for significantly intense reflections: 0.2791
• Goodness-of-fit parameter for all reflections: 1.56
• Goodness-of-fit parameter for significantly intense reflections: 1.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No