Information card for entry 7227763

Structure parameters

• Formula: C36 H26 Cl2 N4 O10 Pb2 S2
• Calculated formula: C36 H26 Cl2 N4 O10 Pb2 S2
• SMILES: [Pb]1234(OS5(=O)=[O][Pb]67([O]1c1ccc(Cl)cc51)(OS(=O)(=[O]3)c1c([O]46)ccc(Cl)c1)[n]1cccc3c1c1[n]7cccc1cc3)[n]1cccc3c1c1[n]2cccc1cc3.O.O
• 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: 9.3621 ± 0.0006 Å
• b: 9.7551 ± 0.0005 Å
• c: 10.9477 ± 0.0008 Å
• α: 80.577 ± 0.005°
• β: 69.059 ± 0.006°
• γ: 88.515 ± 0.005°
• Cell volume: 920.62 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No