Information card for entry 7010015

Structure parameters

• Chemical name: (2,3-isatin-bis(thiosemicarbazonato))-dimethyltin(IV)
• Formula: C12 H15 N7 S2 Sn
• Calculated formula: C12 H15 N7 S2 Sn
• SMILES: [Sn]12(C)(C)N(C(=S)N)N=C3C(=[N]1N=C(S2)N)Nc1ccccc31
• Title of publication: Reactions of diorganotin(IV) oxides with isatin 3- and 2-thiosemicarbazones and with isatin 2,3-bis(thiosemicarbazone): influence of diphenyldithiophosphinic acid (isatin = 1H-indole-2,3-dione)
• 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: 22
• Pages of publication: 4056
• a: 14.913 ± 0.003 Å
• b: 7.3408 ± 0.0014 Å
• c: 15.188 ± 0.003 Å
• α: 90°
• β: 102.933 ± 0.01°
• γ: 90°
• Cell volume: 1620.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2034
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No