Information card for entry 4318147

Structure parameters

• Formula: C28 H34 La N11 O13
• Calculated formula: C28 H34 La N11 O13
• SMILES: [La]12345([O]=N6=C([N](=O)C(C6(C)C)(C)C)c6[n]1c1ccccc1[nH]6)([O]=N1=C([N](=O)C(C1(C)C)(C)C)c1[n]2c2ccccc2[nH]1)(ON(=[O]3)=O)(ON(=[O]5)=O)ON(=[O]4)=O
• 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: 19.5002 ± 0.0012 Å
• b: 13.0582 ± 0.0008 Å
• c: 14.5741 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3711.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for all reflections: 0.629
• Goodness-of-fit parameter for significantly intense reflections: 0.558
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No