Information card for entry 7227760

Structure parameters

• Formula: C32 H22 Cl2 N4 O8 Pb2 S2
• Calculated formula: C32 H22 Cl2 N4 O8 Pb2 S2
• SMILES: [Pb]1234([O]=S5(=O)O[Pb]67([O]1c1c5cc(Cl)cc1)([O]=S(=O)(O3)c1c([O]46)ccc(Cl)c1)[n]1ccccc1c1[n]7cccc1)[n]1ccccc1c1[n]2cccc1
• Title of publication: Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties
• Authors of publication: Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 1778
• a: 7.5895 ± 0.0004 Å
• b: 13.3371 ± 0.0006 Å
• c: 16.5241 ± 0.0006 Å
• α: 90°
• β: 92.337 ± 0.004°
• γ: 90°
• Cell volume: 1671.21 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No