Information card for entry 2006003

Structure parameters

• Chemical name: Bis(N,N-dimethyldithiocarbamyl)acetato(quinolinolato)triphenyltin
• Formula: C35 H35 N3 O3 S4 Sn
• Calculated formula: C35 H35 N3 O3 S4 Sn
• SMILES: [Sn](OC(=O)C(SC(=S)N(C)C)SC(=S)N(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.O=n1c2ccccc2ccc1
• Title of publication: [Bis(<i>N</i>,<i>N</i>-dimethylthiocarbamoylthio)acetato-<i>O</i>]triphenyl(quinoline <i>N</i>-oxide-<i>O</i>)tin
• Authors of publication: Ng, S. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 274 - 276
• a: 10.9126 ± 0.0005 Å
• b: 11.5192 ± 0.0006 Å
• c: 14.182 ± 0.001 Å
• α: 94.715 ± 0.005°
• β: 97.083 ± 0.005°
• γ: 96.918 ± 0.004°
• Cell volume: 1747.71 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.154
• Weighted residual factors for significantly intense reflections: 0.1467
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No