Information card for entry 2211018

Structure parameters

• Chemical name: Poly[bis-μ-benzene-1,3-dicarboxylato-κ^4^O,O':O'',O'''-bis(benzene-1,3- dicarboxylato-O)(2-furan-2-yl-1H-imidazo[4,5-f]-1,10-phenanthroline- κ^2^N,N')cadmium(II)]
• Formula: C25 H14 Cd N4 O5
• Calculated formula: C25 H14 Cd N4 O5
• SMILES: [Cd]1234([n]5c6c7[n]1cccc7c1[nH]c(nc1c6ccc5)c1occc1)[O]=C(O2)c1cc(ccc1)C(=O)O[Cd]12([n]5c6c7[n]1cccc7c1[nH]c(nc1c6ccc5)c1occc1)[O]=C(O2)c1cc(ccc1)C(=[O]3)O[Cd]123([n]5c6c7[n]1cccc7c1[nH]c(nc1c6ccc5)c1occc1)[O]=C(O4)c1cc(ccc1)C1=[O][Cd]4([n]5c6c7[n]4cccc7c4[nH]c(nc4c6ccc5)c4occc4)(O1)OC(=O)c1cc(C(=[O]2)O3)ccc1
• Title of publication: Poly[bis(μ~3~-benzene-1,3-dicarboxylato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis(benzene-1,3-dicarboxylato-κ<i>O</i>)(2-furan-2-yl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]
• Authors of publication: Chuan-Bi Li; Yan-Wei Li; Bo liu; Wei Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2875 - m2877
• a: 15.0115 ± 0.0017 Å
• b: 15.5106 ± 0.0019 Å
• c: 18.965 ± 0.002 Å
• α: 90°
• β: 110.74 ± 0.002°
• γ: 90°
• Cell volume: 4129.6 ± 0.8 ų
• Cell temperature: 292 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes