Information card for entry 7202279

Structure parameters

• Common name: Dimethyl(pyruvic-thiosemicarbazonate)tin(IV) THF solvate
• Formula: C8 H15 N3 O2.5 S Sn
• Calculated formula: C8 H15 N3 O2.5 S Sn
• Title of publication: Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities
• Authors of publication: Kovala-Demertzi, Dimitra; Wiecek, Joanna; Plakatouras, John C.; Ciunik, Zbigniew
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1291
• a: 20.1191 ± 0.0005 Å
• b: 20.1191 ± 0.0005 Å
• c: 20.1191 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8143.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No