Information card for entry 4107351

Structure parameters

• Formula: C22 H14.5 Cl2 N4 O9 Pb
• Calculated formula: C22 H14.5 Cl2 N4 O9 Pb
• SMILES: [Pb]123([OH2])(OCl(=O)(=O)=O)[n]4ccccc4c4[n]1c1c(cc4)ccc4c1[n]2c(cc4)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Enhanced Metal Ion Selectivity of 2,9-Di-(pyrid-2-yl)-1,10-phenanthroline and Its Use as a Fluorescent Sensor for Cadmium(II)
• Authors of publication: Gregory M. Cockrell; Gang Zhang; Donald G. VanDerveer; Randolph P. Thummel; Robert D. Hancock
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1420 - 1430
• a: 15.715 ± 0.003 Å
• b: 11.425 ± 0.002 Å
• c: 27.309 ± 0.006 Å
• α: 90°
• β: 104.72 ± 0.03°
• γ: 90°
• Cell volume: 4742.2 ± 1.7 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No