Information card for entry 4304811

Structure parameters

• Formula: C52 H54 Cl2 N8 O16 Zn2
• Calculated formula: C52 H54 Cl2 N8 O16 Zn2
• SMILES: O.O.O=C1CCCOc2cccc3ccc4C[N]56Cc7cccc[n]7[Zn]6(OC(=O)CCCOc6cccc7ccc8C[N]9%10Cc%11cccc[n]%11[Zn]%10(O1)([n]8c67)[n]1ccccc1C9)([n]4c23)[n]1ccccc1C5.[O-][Cl](=O)(=O)=O.[O-][Cl](=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: 12.819 ± 0.003 Å
• b: 13.847 ± 0.003 Å
• c: 15.53 ± 0.003 Å
• α: 90°
• β: 99.67 ± 0.03°
• γ: 90°
• Cell volume: 2717.5 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1668
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No