Information card for entry 2216269

Structure parameters

• Chemical name: catena-Poly[diaquatris(μ~3~-biphenyl-2,2'-dicarboxylato)dierbium(III)]
• Formula: C21 H14 Er O7
• Calculated formula: C21 H14 Er O7
• SMILES: [Er]12345([OH2])([OH2])[O]=C6O[Er]789%10([O]=C([O]17)c1ccccc1c1ccccc1C(=[O]2)O[Er]127([O]=C(O3)c3c(cccc3)c3c(cccc3)C(O2)=O)(OC(=[O]7)c7ccccc7c7ccccc7C(=O)[O-])[O]=C([O]41)c1ccccc1c1ccccc1C(=[O]5)O%10)[O]=C(O[Er]1([O]9C(=[O]8)c2ccccc2c2ccccc2C(=O)O1)([OH2])[OH2])c1c(c2c6cccc2)cccc1
• Title of publication: <i>catena</i>-Poly[diaquatris(μ~3~-biphenyl-2,2'-dicarboxylato)dierbium(III)]
• Authors of publication: Yang Rui; Liu Yu-Qi; Yang Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2899 - m2900
• a: 20.9203 ± 0.0019 Å
• b: 21.295 ± 0.002 Å
• c: 8.1553 ± 0.0008 Å
• α: 90°
• β: 104.149 ± 0.001°
• γ: 90°
• Cell volume: 3522.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes