Information card for entry 4332329

Structure parameters

• Formula: C30 H39 Cl2 N5 O11 Pb
• Calculated formula: C30 H39 Cl2 N5 O11 Pb
• SMILES: [Pb]1234567[O]8CC[N]1(Cc1c([NH2]6)cccc1)CC[O]2CC[O]5CC[N]7(Cc1ccccc1[N]3=Cc1[n]4cccc1)CC8.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Lone-Pair Activity in Lead(II) Complexes with Unsymmetrical Lariat Ethers
• Authors of publication: Esteban-Gómez, David; Platas-Iglesias, Carlos; Enríquez-Pérez, Teresa; Avecilla, Fernando; de Blas, Andrés; Rodríguez-Blas, Teresa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5407 - 5416
• a: 9.2846 ± 0.0007 Å
• b: 11.8696 ± 0.0009 Å
• c: 31.908 ± 0.002 Å
• α: 90°
• β: 93.228 ± 0.002°
• γ: 90°
• Cell volume: 3510.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1519
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No