Information card for entry 2233697

Structure parameters

• Chemical name: Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ~3~-4- sulfonatobenzene-1,2-dicarboxylato- κ^4^<i>O</i>^1^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^)erbium(III)] dihydrate]
• Formula: C20 H19 Er N2 O11 S
• Calculated formula: C20 H19 Er N2 O11 S
• Title of publication: Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ~3~-4-sulfonatobenzene-1,2-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^)erbium(III)] dihydrate]
• Authors of publication: Zhang, Kou-Lin; Lin, Jian-Guo; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m226
• a: 14.3924 ± 0.0001 Å
• b: 9.6206 ± 0.0002 Å
• c: 17.4245 ± 0.0003 Å
• α: 90°
• β: 105.84 ± 0.001°
• γ: 90°
• Cell volume: 2321.04 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes