Information card for entry 2018450

Structure parameters

• Chemical name: poly[(dimethylamine-κ<i>N</i>)[μ~3~-(<i>E</i>)-2,6-dimethyl-4- styrylpyridine-3,5-dicarboxylato- κ^3^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^]zinc(II)]
• Formula: C19 H20 N2 O4 Zn
• Calculated formula: C19 H20 N2 O4 Zn
• SMILES: [Zn]1([NH](C)C)OC(=O)c2c(C)nc(C)c(c2/C=C/c2ccccc2)C2=[O][Zn]([NH](C)C)(OC(=O)c3c(C)nc(C)c(C(=O)[O-])c3/C=C/c3ccccc3)OC(c3c(C)nc(C)c(C(=O)[O-])c3/C=C/c3ccccc3)=[O][Zn](O2)([NH](C)C)OC(=O)c2c(C)nc(C)c(c2/C=C/c2ccccc2)C(O1)=[O][Zn][NH](C)C
• Title of publication: Distinct chiral units from an axially prochiral ligand in a photoluminescent zinc(II)‒organic complex
• Authors of publication: Zhang, Ming-Xing; Chen, Xin; Huang, Kun-Lin; Zhu, Yi; Yang, Shan-Shan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m90 - m93
• a: 9.134 ± 0.002 Å
• b: 9.694 ± 0.002 Å
• c: 11.735 ± 0.003 Å
• α: 80.602 ± 0.004°
• β: 87.611 ± 0.004°
• γ: 66.518 ± 0.004°
• Cell volume: 939.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes