Information card for entry 2021043

Structure parameters

• Chemical name: Poly[[tetraaquatetra-μ~2~-acetato-bis(μ~4~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraterbium(III)] pentahydrate]
• Formula: C56 H78 N4 O37 Tb4
• Calculated formula: C56 H60 N4 O32 Tb4
• Title of publication: Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties
• Authors of publication: Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• a: 9.3676 ± 0.0007 Å
• b: 17.6232 ± 0.0014 Å
• c: 11.3172 ± 0.0009 Å
• α: 90°
• β: 94.351 ± 0.002°
• γ: 90°
• Cell volume: 1862.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0807
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes