Information card for entry 7042740

Structure parameters

• Formula: C11 H18 Cl2 N4 O8 Pb
• Calculated formula: C11 H18 Cl2 N4 O8 Pb
• SMILES: [Pb]123[n]4c5cccc4C[NH]1CC[NH]2CC[NH]3C5.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Pb2+ Complexes of Small-Cavity Azamacrocyclic Ligands. Thermodynamic and Kinetic Studies
• Authors of publication: Liberato, Andrea; Aguinaco, Almudena; Clares, Maria Paz; Delgado-Pinar, Estefania; Blasco, Salvador; Pitarch-Jarque, Javier; Basallote, Manuel G.; García-España, Enrique; Verdejo, Begoña
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.8925 ± 0.0003 Å
• b: 15.1543 ± 0.0005 Å
• c: 13.5209 ± 0.0005 Å
• α: 90°
• β: 101.15 ± 0.0013°
• γ: 90°
• Cell volume: 1787.68 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No