Information card for entry 7031110

Structure parameters

• Formula: C38 H32 N6 O13 Pb2 S2
• Calculated formula: C38 H32 N6 O13 Pb2 S2
• SMILES: c1ccc2ccc3c4c2[n]1[Pb]1([n]4ccc3)([O]=C(c2ccc(cc2N)S(=O)(O[Pb]23(OC(c4c(cc(cc4)S(=O)(=O)[O-])N)=[O]3)[n]3cccc4c3c3c(cc4)ccc[n]23)=O)O1)[OH2].O.O
• Title of publication: Synthesis, characterization and properties of a family of lead(ii)-organic frameworks based on a multi-functional ligand 2-amino-4-sulfobenzoic acid exhibiting auxiliary ligand-dependent dehydration-rehydration behaviours.
• Authors of publication: Zhang, Kou-Lin; Zhong, Zhao-Yin; Zhang, Lei; Jing, Chu-Yue; Daniels, Luke M.; Walton, Richard I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 11597 - 11610
• a: 9.6177 ± 0.0015 Å
• b: 13.49 ± 0.002 Å
• c: 15.996 ± 0.002 Å
• α: 90.087 ± 0.002°
• β: 96.643 ± 0.002°
• γ: 105.861 ± 0.002°
• Cell volume: 1981.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No