Information card for entry 4304808

Structure parameters

• Formula: C29 H26 Cl2 N4 O9 Zn
• Calculated formula: C29 H26 Cl2 N4 O9 Zn
• SMILES: c1(cccc2c1[n]1c(cc2)C[N]23Cc4cccc[n]4[Zn]13([n]1c(C2)cccc1)OCl(=O)(=O)=O)OCc1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Modulating Affinities of Di-2-picolylamine (DPA)-Substituted Quinoline Sensors for Zinc Ions by Varying Pendant Ligands
• Authors of publication: Lin Xue; Huan-Huan Wang; Xiao-Jun Wang; Hua Jiang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4310 - 4318
• a: 12.026 ± 0.002 Å
• b: 41.317 ± 0.008 Å
• c: 18.332 ± 0.004 Å
• α: 90°
• β: 103.98 ± 0.03°
• γ: 90°
• Cell volume: 8839 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No