Information card for entry 2235172

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-furan-2,5-dicarboxylato- κ^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^5^,<i>O</i>^5'^]
• Formula: C18 H10 N2 O5 Zn
• Calculated formula: C18 H10 N2 O5 Zn
• SMILES: [Zn]123([O]=C(O1)c1oc(cc1)C(=O)[O-])([n]1cccc4ccc5ccc[n]2c5c14)OC(=[O]3)c1oc(C2=[O][Zn]3(O2)[n]2cccc4ccc5ccc[n]3c5c24)cc1
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-furan-2,5-dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^5^,<i>O</i>^5'^]
• Authors of publication: Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Gao, Wen-Yuan; Gao, Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m750
• a: 5.8725 ± 0.001 Å
• b: 15.013 ± 0.003 Å
• c: 19.241 ± 0.008 Å
• α: 90°
• β: 104.42 ± 0.03°
• γ: 90°
• Cell volume: 1642.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes