Information card for entry 7208745

Structure parameters

• Formula: C19 H24 Cl2 N2 O9 Pb S2
• Calculated formula: C19 H24 Cl2 N2 O9 Pb S2
• SMILES: [Pb]123(OC)[S]4CC[N]2(CC[S]1Cc1cccc(c1)C4)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes
• Authors of publication: Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6515
• a: 16.5333 ± 0.0012 Å
• b: 10.1786 ± 0.0007 Å
• c: 16.9387 ± 0.0012 Å
• α: 90°
• β: 117.185 ± 0.003°
• γ: 90°
• Cell volume: 2535.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0297
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No