Information card for entry 7202082

Structure parameters

• Formula: C18 H14 N6 O7 Pb S2
• Calculated formula: C18 H14 N6 O7 Pb S2
• SMILES: [Pb](OC(=O)CSc1nnc(c2cc[n]3cc2)o1)[n]1ccc(cc1)c(o1)nnc1SCC(=O)O[Pb]3(OC(=O)CSc1nnc(c2ccncc2)o1)[n]1ccc(cc1)c(o1)nnc1SCC(=O)[O-].O.O
• Title of publication: Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions
• Authors of publication: Zhang, Zhi-Hui; Du, Miao
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1350
• a: 24.2121 ± 0.0019 Å
• b: 11.5806 ± 0.0006 Å
• c: 7.8686 ± 0.0006 Å
• α: 90°
• β: 99.652 ± 0.001°
• γ: 90°
• Cell volume: 2175.1 ± 0.3 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: 0.0188
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No