Information card for entry 7208820

Structure parameters

• Formula: C20 H18 Cl2 N6 O8 Pb
• Calculated formula: C20 H18 Cl2 N6 O8 Pb
• SMILES: c1cc(ccn1=[O][Pb]([O]=n1ccc(cc1)c1cc[nH+]cc1)(Cl)Cl)c1cc[nH+]cc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: N-oxide-4,4′-bipyridine, a forgotten ligand in coordination chemistry: structure‒photoluminescence property relationships in 2D and 1D lead-coordination polymers
• Authors of publication: Toma, Oksana; Mercier, Nicolas; Bouilland, Mathilde; Allain, Magali
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 7844
• a: 16.847 ± 0.001 Å
• b: 4.0866 ± 0.0005 Å
• c: 35.249 ± 0.003 Å
• α: 90°
• β: 97.55 ± 0.01°
• γ: 90°
• Cell volume: 2405.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No