Information card for entry 4304348

Structure parameters

• Formula: C256 H316 N12 O40 Pb4 S4
• Calculated formula: C256 H316 N12 O40 Pb4 S4
• SMILES: [Pb]123456([O](c7c8cc(cc7Cc7c([O]1C)c(cc(c7)C(C)(C)C)Cc1c([O]3CC(=[O]2)O[Pb]2379%10([O](c%11c%12cc(cc%11Cc%11c([O]2C)c(cc(c%11)C(C)(C)C)Cc2c([O]7CC(=[O]3)O[Pb]37%11%13%14([O](c%15c%16cc(cc%15Cc%15c([O]3C)c(cc(c%15)C(C)(C)C)Cc3c([O]%11CC(=[O]7)O[Pb]7%11%15%17%18([O](c%19c%20cc(cc%19Cc%19c([O]7C)c(cc(c%19)C(C)(C)C)Cc7c([O]%15CC(=[O]%11)O5)c(cc(c7)C(C)(C)C)Cc5c([O]%17C)c(cc(c5)C(C)(C)C)C%20)C(C)(C)C)C/C(=N/S(=O)(=O)c5cccc7c(N(C)C)cccc57)O%18)[OH2])c(cc(c3)C(C)(C)C)Cc3c([O]%13C)c(cc(c3)C(C)(C)C)C%16)C(C)(C)C)CC(=N\S(=O)(=O)c3cccc5c(N(C)C)cccc35)\O%14)[OH2])c(cc(c2)C(C)(C)C)Cc2c([O]9C)c(cc(c2)C(C)(C)C)C%12)C(C)(C)C)CC(=N\S(=O)(=O)c2cccc3c(N(C)C)cccc23)\O%10)[OH2])c(cc(c1)C(C)(C)C)Cc1c([O]4C)c(cc(c1)C(C)(C)C)C8)C(C)(C)C)C/C(=N/S(=O)(=O)c1cccc2c(N(C)C)cccc12)O6)[OH2].N#CC.N#CC.N#CC.N#CC
• Title of publication: New Fluorogenic Dansyl-Containing Calix[4]arene in the Partial Cone Conformation for Highly Sensitive and Selective Recognition of Lead(II)
• Authors of publication: Nicole M. Buie; Vladimir S. Talanov; Raymond J. Butcher; Galina G. Talanova
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3549 - 3558
• a: 22.2504 ± 0.0006 Å
• b: 30.5529 ± 0.0007 Å
• c: 41.1767 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27992.5 ± 1.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2038
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No