Information card for entry 2019250

Structure parameters

• Chemical name: Poly[[μ~6~-2-(4-{1-[4-(carboxymethoxy)phenyl]-1-methylethyl}phenoxy)acetato][μ~4~-2-(4-{1-[4-(carboxymethoxy)phenyl]-1-methylethyl}phenoxy)acetato]disodium(I)]
• Formula: C19 H19 Na O6
• Calculated formula: C19 H19 Na O6
• SMILES: [Na+].O(c1ccc(cc1)C(C)(C)c1ccc(OCC(=O)[O-])cc1)CC(=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: 5.7235 ± 0.0011 Å
• b: 27.444 ± 0.006 Å
• c: 21.287 ± 0.004 Å
• α: 90°
• β: 95.6 ± 0.03°
• γ: 90°
• Cell volume: 3327.7 ± 1.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No