Information card for entry 4107327

Structure parameters

• Formula: C89 H100 Cl3 Eu N17 O13.5 S3
• Calculated formula: C89 H93 Cl3 Eu N17 O13.5 S3
• SMILES: [Eu]12345678[n]9c%10cc(CSCCC(C)(CCSCc%11cc%12[n]3c(n(c%12cc%11)CC)c3[n]4c(ccc3)c3[n]5c4cc(ccc4n3CC)C)CCSCc3cc4[n]6c(n(c4cc3)CC)c3[n]8c(ccc3)c3[n]7c4cc(ccc4n3CC)C)ccc%10n(c9c3[n]1c(ccc3)c1[n]2c2cc(ccc2n1CC)C)CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC.OCC.O
• Title of publication: Effective Concentration as a Tool for Quantitatively Addressing Preorganization in Multicomponent Assemblies: Application to the Selective Complexation of Lanthanide Cations
• Authors of publication: Gabriel Canard; Sylvain Koeller; Gérald Bernardinelli; Claude Piguet
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1025 - 1040
• a: 14.4595 ± 0.0006 Å
• b: 15.5595 ± 0.0005 Å
• c: 43.521 ± 0.002 Å
• α: 90°
• β: 96.035 ± 0.005°
• γ: 90°
• Cell volume: 9737.2 ± 0.7 ų
• Cell temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No