Information card for entry 2015915

Structure parameters

• Chemical name: μ-2,6-dimethylpyridine-3,5-dicarboxylato-κ^4^O^3^,O^3'^:O^5^,O^5'^- bis[chloro(1,10-phenanthroline-κ^2^N,N')zinc(II)]
• Formula: C33 H23 Cl2 N5 O4 Zn2
• Calculated formula: C33 H23 Cl2 N5 O4 Zn2
• SMILES: [Zn]12(Cl)([n]3cccc4c3c3[n]1cccc3cc4)OC(=[O]2)c1c(nc(c(c1)C1=[O][Zn]2(Cl)([n]3cccc4c3c3[n]2cccc3cc4)O1)C)C
• Title of publication: A new two-dimensional supramolecule composed of μ-2,6-dimethylpyridine-3,5-dicarboxylato-κ^4^<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^5^,<i>O</i>^5'^-bis[chloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]
• Authors of publication: Yan-Ting He; Kun-Lin Huang; Chang-Wen Hu; Wan-Long Pan; Ying-Nan Chi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m161 - m162
• a: 31.578 ± 0.014 Å
• b: 8.006 ± 0.004 Å
• c: 12.006 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3035 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes