Information card for entry 7011561

Structure parameters

• Formula: C24 H28 N6 O8 Pb
• Calculated formula: C24 H28 N6 O8 Pb
• SMILES: [Pb]12345([N]6CCC[N]1=Cc1cc(C)cc(c1O3)C=[NH+]CCC[NH+]=Cc1cc(C)cc(c1O2)C=6)([O]=N(O4)=O)[O]=N(=O)O5
• Title of publication: Organized assemblies of lead(ii) complexes of a tetraiminodiphenol macrocyclic ligand: manifestation of weak metal‒anion interactions and the directional influence of anions
• Authors of publication: Dutta, Bula; Adhikary, Bibhutosh; Bag, Pradip; Flörke, Ulrich; Nag, Kamalaksha
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2760
• a: 10.277 ± 0.001 Å
• b: 17.922 ± 0.003 Å
• c: 14.368 ± 0.003 Å
• α: 90°
• β: 92.08 ± 0.01°
• γ: 90°
• Cell volume: 2644.6 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No