Information card for entry 2017870

Structure parameters

• Chemical name: poly[[{μ~4~-2,2'-[2,5-bis(carboxymethyl)-1,4-phenylenedioxy]diacetato}zinc(II)] trihydrate]
• Formula: C14 H18 O13 Zn
• Calculated formula: C14 H10 O10 Zn
• Title of publication: Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations
• Authors of publication: Titi, Hatem M.; Karmakar, Anirban; Goldberg, Israel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m238 - m244
• a: 8.9186 ± 0.0004 Å
• b: 12.2656 ± 0.0007 Å
• c: 16.3199 ± 0.0008 Å
• α: 90°
• β: 91.384 ± 0.004°
• γ: 90°
• Cell volume: 1784.75 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.1093
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes