Information card for entry 4305875

Structure parameters

• Formula: C28 H38 N2 O4 S4 Sn2
• Calculated formula: C28 H38 N2 O4 S4 Sn2
• SMILES: C12=[S][Sn](S2)(C)(OC(=O)CCCN(C2=[S][Sn](OC(=O)CCCN1Cc1ccccc1)(S2)(C)C)Cc1ccccc1)C
• Title of publication: Macrocyclic Diorganotin Complexes of γ-Amino Acid Dithiocarbamates as Hosts for Ion-Pair Recognition
• Authors of publication: Jorge Cruz-Huerta; Manuel Carillo-Morales; Ericka Santacruz-Juárez; Irán F. Hernández-Ahuactzi; Jaime Escalante-García; Carolina Godoy-Alcantar; Jorge A. Guerrero-Alvarez; Herbert Höpfl; Hugo Morales-Rojas; Mario Sánchez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9874 - 9885
• a: 9.0547 ± 0.0006 Å
• b: 22.8219 ± 0.0016 Å
• c: 7.7988 ± 0.0005 Å
• α: 90°
• β: 97.684 ± 0.001°
• γ: 90°
• Cell volume: 1597.12 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.689
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No