Information card for entry 7050858

Structure parameters

• Formula: C40 H32 Cl3 N8 Nd O20
• Calculated formula: C40 H32 Cl3 N8 Nd O20
• Title of publication: The structure and spectroscopy of lanthanide(III) complexes with 2,2'-bipyridine-1,1'-dioxide in solution and in the solid state: effects of ionic size and solvent on photophysics, ligand structure and coordination
• Authors of publication: Huskowska, Ewa; Turowska-Tyrk, Ilona; Legendziewicz, Janina; Riehl, James P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1461 - 1467
• a: 14.8396 ± 0.0008 Å
• b: 13.562 ± 0.0008 Å
• c: 23.0193 ± 0.0014 Å
• α: 90°
• β: 91.405 ± 0.005°
• γ: 90°
• Cell volume: 4631.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections: 0.1327
• Weighted residual factors for significantly intense reflections: 0.129
• Goodness-of-fit parameter for all reflections: 1.252
• Goodness-of-fit parameter for significantly intense reflections: 1.365
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No