Information card for entry 4318407

Structure parameters

• Formula: C28 H40 N6 O4 Pb S2
• Calculated formula: C28 H40 N6 O4 Pb S2
• SMILES: C1C[O]2CC[O]3CC[N]4(Cc5c(cccc5)[NH2]5)CC[O]6CC[O]7CC[N]18Cc1c(cccc1)[NH2][Pb]2345678.C(#N)[S-].C(#N)[S-]
• 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: 7.958 ± 0.0002 Å
• b: 10.2778 ± 0.0002 Å
• c: 11.4938 ± 0.0002 Å
• α: 68.257 ± 0.001°
• β: 71.202 ± 0.001°
• γ: 68.324 ± 0.001°
• Cell volume: 792.52 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No