Information card for entry 7010014

Structure parameters

• Chemical name: (3-isatinethiosemicarbazonato)-dimethyl-monothiophosphinato-tin(IV) ethanol solvate
• Formula: C25 H29 N4 O3 P S2 Sn
• Calculated formula: C25 H29 N4 O3 P S2 Sn
• SMILES: [Sn]1(SC(N)=N[N]1=C1C(=O)Nc2c1cccc2)(OP(=S)(c1ccccc1)c1ccccc1)(C)C.OCC
• 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: 10.558 ± 0.002 Å
• b: 10.958 ± 0.002 Å
• c: 13.978 ± 0.003 Å
• α: 88.723 ± 0.01°
• β: 77.833 ± 0.01°
• γ: 62.28 ± 0.02°
• Cell volume: 1394 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54056 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No