Information card for entry 2006553

Structure parameters

• Chemical name: trans-diphenyl[2,6-diacetylpyridinebis(thiosemicarbazone)]tin(IV) chloride
• Formula: C23 H24 Cl N7 S2 Sn
• Calculated formula: C23 H24 Cl N7 S2 Sn
• SMILES: [Sn]12(c3ccccc3)(c3ccccc3)[N]([N-]C(=S)N)=C(C)c3cccc([n]13)C(=[N]2NC(=S)N)C.[Cl-]
• Title of publication: <i>trans</i>-[2,6-Diacetylpyridine bis(thiosemicarbazone)(1‒)]diphenyltin(IV) Chloride
• Authors of publication: Moreno, Patricia C.; Francisco, Regina H. P.; Gambardella, M. Teresa do P.; Sousa, Gerimario F. de; Abras, Anuar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1411 - 1414
• a: 8.537 ± 0.001 Å
• b: 15.946 ± 0.005 Å
• c: 18.756 ± 0.004 Å
• α: 90°
• β: 92.53 ± 0.02°
• γ: 90°
• Cell volume: 2550.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.071
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for all reflections: 1.109
• Goodness-of-fit parameter for significantly intense reflections: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No