Information card for entry 2206283

Structure parameters

• Chemical name: catena-Poly[[tri-μ~2~-benzoato-dizinc(II)]-μ~2~-hydroxy]
• Formula: C21 H16 O7 Zn2
• Calculated formula: C21 H16 O7 Zn2
• SMILES: [Zn]12([O]=C(O[Zn]([O]=C(O1)c1ccccc1)([O]=C(O2)c1ccccc1)O)c1ccccc1)[OH][Zn]12[O]=C(O[Zn]([O]=C(O1)c1ccccc1)[O]=C(O2)c1ccccc1)c1ccccc1
• Title of publication: <i>catena</i>-Poly[[tri-μ~2~-benzoato-dizinc(II)]-μ~2~-hydroxy]
• Authors of publication: Yang, Shi-Yao; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1340 - m1342
• a: 11.9182 ± 0.0005 Å
• b: 16.5293 ± 0.0007 Å
• c: 21.1391 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4164.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes