Information card for entry 7223171

Structure parameters

• Formula: C33 H29 N6 O10 Tb
• Calculated formula: C33 H25 N6 O10 Tb
• 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: 13.376 ± 0.001 Å
• b: 10.305 ± 0.001 Å
• c: 23.9 ± 0.002 Å
• α: 90°
• β: 92.146 ± 0.001°
• γ: 90°
• Cell volume: 3292.1 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No