Information card for entry 4349325

Structure parameters

• Formula: C15 H21 N O2 S2 Sn
• Calculated formula: C15 H21 N O2 S2 Sn
• Title of publication: Variation of the Molecular Conformation, Shape, and Cavity Size in Dinuclear Metalla-Macrocycles Containing Hetero-Ditopic Dithiocarbamate-Carboxylate Ligands from a Homologous Series of N-Substituted Amino Acids.
• Authors of publication: Torres-Huerta, Aaron; Cruz-Huerta, Jorge; Höpfl, Herbert; Hernández-Vázquez, Luis G; Escalante-García, Jaime; Jiménez-Sánchez, Arturo; Santillan, Rosa; Hernández-Ahuactzi, Irán F; Sánchez, Mario
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12451 - 12469
• a: 14.704 ± 0.002 Å
• b: 8.0714 ± 0.0013 Å
• c: 14.564 ± 0.002 Å
• α: 90°
• β: 93.626 ± 0.003°
• γ: 90°
• Cell volume: 1725 ± 0.4 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: 0.087
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No