Information card for entry 7223174

Structure parameters

• Formula: C22 H16.67 N4 O5.33 Tb0.67
• Calculated formula: C22 H16.6667 N4 O5.33333 Tb0.666667
• Title of publication: Crystal structures and luminescent properties of new lanthanide(III) complexes derived from 2-phenyl-4-pyrimidinecarboxylate
• Authors of publication: Sun, Hao-Ling; Jia, Li; Wang, Zhenqiang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.86 ± 0.002 Å
• b: 22.849 ± 0.003 Å
• c: 8.889 ± 0.001 Å
• α: 90°
• β: 104.73 ± 0.002°
• γ: 90°
• Cell volume: 3115.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No