Information card for entry 2019251

Structure parameters

• Chemical name: Poly[hexa-μ-aqua-diaquabis{μ~3~-2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetato}tetrasodium(I)]
• Formula: C16 H20 Na2 O12 S
• Calculated formula: C16 H20 Na2 O12 S
• SMILES: [Na+].[Na+].O(CC(=O)[O-])c1ccc(cc1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1.O.O.O.O
• Title of publication: Two sodium(I) coordination polymers constructed by the V-shaped ligands 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid and 2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetic acid
• Authors of publication: Huang, Qiu-Ying; Liu, Chun-Li; Zhou, Zi-Peng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1322 - 1327
• a: 8.098 ± 0.0013 Å
• b: 8.382 ± 0.0014 Å
• c: 15.291 ± 0.002 Å
• α: 75.492 ± 0.001°
• β: 87.242 ± 0.002°
• γ: 86.712 ± 0.003°
• Cell volume: 1002.6 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No