Information card for entry 2016013

Structure parameters

• Chemical name: catena-Poly[[pentaaquathulium(III)]-μ-5-sulfonatobenzene-1,3-dicarboxylato]- 4,4'-bipyridyl 1.5-solvate hemihydrate]
• Formula: C23 H26 N3 O12.5 S Tm
• Calculated formula: C23 H26 N3 O12.5 S Tm
• Title of publication: <i>catena</i>-Poly[[[pentaaquathulium(III)]-μ-5-sulfonatobenzene-1,3-dicarboxylato] 4,4'-bipyridyl 1.5-solvate hemihydrate]
• Authors of publication: Yu-Ling Wang; Qing-Yan Liu; Li Xu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m304 - m307
• a: 30.516 ± 0.005 Å
• b: 10.8142 ± 0.0016 Å
• c: 17.35 ± 0.003 Å
• α: 90°
• β: 111.795 ± 0.002°
• γ: 90°
• Cell volume: 5316.3 ± 1.5 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes