Information card for entry 2016914

Structure parameters

• Chemical name: poly[hexaaquabis[μ~4~-3,5-bis(carboxylatomethoxy)benzoato]trizinc(II)]
• Formula: C22 H26 O22 Zn3
• Calculated formula: C22 H26 O22 Zn3
• Title of publication: A double-layered zinc(II) coordination polymer with the ligand 3,5-bis(carboxylatomethoxy)benzoate
• Authors of publication: Cen, Zhong-Min; Li, Fa-Si; Ni, Qing-Ling; Wang, Xiu-Jian; Li, Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m17 - m20
• a: 8.0458 ± 0.0009 Å
• b: 14.2074 ± 0.0016 Å
• c: 12.1692 ± 0.0013 Å
• α: 90°
• β: 90.261 ± 0.002°
• γ: 90°
• Cell volume: 1391 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes