Information card for entry 2016874

Structure parameters

• Chemical name: catena-poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline)zinc(II)]-μ- 4,4'-ethylenedicarboxylato] N,N-dimethylformamide hemisolvate]
• Formula: C31.5 H23.5 N4.5 O5.5 Zn
• Calculated formula: C31.5 H23.5 N4.5 O5.5 Zn
• Title of publication: Influence of nitrogen-containing chelating ligands on the structures of zinc(II) 4,4'-ethylenedibenzoates
• Authors of publication: Wang, Xiu-Yan; Wang, Jia-Jun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m401 - m404
• a: 11.2278 ± 0.0011 Å
• b: 11.3944 ± 0.0011 Å
• c: 11.8165 ± 0.0011 Å
• α: 84.345 ± 0.002°
• β: 69.421 ± 0.002°
• γ: 83.982 ± 0.001°
• Cell volume: 1404.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes