Information card for entry 4318986

Structure parameters

• Formula: C18 H19 Cl2 N2 O8.5 Pb S3
• Calculated formula: C18 H18 Cl2 N2 O8.5 Pb S3
• SMILES: Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Pb]1234[S]5Cc6[n]1c1c(cc6)ccc6c1[n]2c(cc6)C[S]3CC[S]4CC5.O
• Title of publication: Fluorometric Chemosensors. Interaction of Toxic Heavy Metal Ions PbII, CdII, and HgII with Novel Mixed-Donor Phenanthroline-Containing Macrocycles: Spectrofluorometric, Conductometric, and Crystallographic Studies
• Authors of publication: M. Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Francesco Isaia; Alessandra Garau; Vito Lippolis; Fahimeh Jalali; Ulrich Papke; Mojtaba Shamsipur; Lorenzo Tei; Abdollah Yari; Gaetano Verani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6623 - 6632
• a: 19.396 ± 0.002 Å
• b: 18.412 ± 0.002 Å
• c: 13.785 ± 0.001 Å
• α: 90°
• β: 94.36 ± 0.01°
• γ: 90°
• Cell volume: 4908.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.0702
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No