Information card for entry 2021294

Structure parameters

• Chemical name: {Triaqua[2,6-diacetylpyridine bis(semicarbazone)-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>']terbium(III)}-μ-oxido-[tricosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)] pentahydrate
• Formula: C11 H31 Mo12 N7 O50 P Tb
• Calculated formula: C11 H31 Mo12 N7 O50 P Tb
• Title of publication: Two new POM-based compounds modified by lanthanide‒Schiff base complexes with interesting NLO properties
• Authors of publication: Luo, Xi-Ming; Cui, Chen-Hui; Cao, Jia-Peng; Lin, Qing-Fang; Xu, Yan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 11.594 ± 0.004 Å
• b: 15.198 ± 0.005 Å
• c: 15.292 ± 0.005 Å
• α: 80.195 ± 0.003°
• β: 87.94 ± 0.004°
• γ: 75.052 ± 0.004°
• Cell volume: 2565.2 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes