Information card for entry 7009605

Structure parameters

• Chemical name: (2-forylimidazole thiosemicarbazonato)dimethyltin(IV) ethanol solvate
• Formula: C9 H17 N5 O S Sn
• Calculated formula: C9 H17 N5 O S Sn
• SMILES: [Sn]12([S]=C(N)N1N=Cc1n2ccn1)(C)C.OCC
• Title of publication: Diorganotin(IV) complexes of imidazole-2-carbaldehyde thiosemicarbazone (H2ImTSC). The crystal and molecular structures of the “free” ligand and of [SnMe2(ImTSC)]
• Authors of publication: Casas, José S.; Castiñeiras, Alfonso; Rodríguez-Argüelles, María C.; Sánchez, Agustín; Sordo, José; Vázquez-López, Antonia; Vázquez-López, Ezequiel M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2267
• a: 22.92 ± 0.008 Å
• b: 6.3651 ± 0.0007 Å
• c: 10.488 ± 0.004 Å
• α: 90°
• β: 101.655 ± 0.016°
• γ: 90°
• Cell volume: 1498.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No