Information card for entry 4318409

Structure parameters

• Formula: C35 H44 Cl2 N4 O13 Pb
• Calculated formula: C35 H44 Cl2 N4 O13 Pb
• SMILES: [Pb]12345[O]=c6c7cc(cc6=CNc6c(CN8CCOCC[O]3CC[N]5(Cc3c([N]4=C7)cccc3)CC[O]1CC[O]2CC8)cccc6)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Lead(II) Complexes with Macrocyclic Receptors Derived from 4,13-Diaza-18-crown-6
• Authors of publication: David Esteban; Fernando Avecilla; Carlos Platas-Iglesias; Jose Mahía; Andrés de Blas; Teresa Rodríguez-Blas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4337 - 4347
• a: 13.4691 ± 0.0002 Å
• b: 17.7452 ± 0.0002 Å
• c: 15.832 ± 0.0002 Å
• α: 90°
• β: 92.509 ± 0.001°
• γ: 90°
• Cell volume: 3780.41 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No