Information card for entry 2211438

Structure parameters

• Chemical name: catena-Poly[[(2-(2-furyl)-1H-imidazo[4,5-f][1,10]phenanthroline)zinc(II)]- μ-benzene-1,2-dicarboxylato]
• Formula: C25 H14 N4 O5 Zn
• Calculated formula: C25 H14 N4 O5 Zn
• SMILES: [Zn]12([O]=C(c3c(cccc3)C(=O)[O-])O1)([n]1c3c(c4c(c5c3[n]2ccc5)[nH]c(c2ccco2)n4)ccc1)OC(=O)c1c(C2=[O][Zn]3(O2)[n]2c4c(c5c(c6c4[n]3ccc6)[nH]c(c3ccco3)n5)ccc2)cccc1
• Title of publication: <i>catena</i>-Poly[[[2-(2-furyl)-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline]zinc(II)]-μ-benzene-1,2-dicarboxylato]
• Authors of publication: Chuan-Bi Li; Yan-Wei Li; Wei Fang; Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3541 - m3543
• a: 31.852 ± 0.013 Å
• b: 9.772 ± 0.004 Å
• c: 13.657 ± 0.006 Å
• α: 90°
• β: 99.285 ± 0.007°
• γ: 90°
• Cell volume: 4195 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes