Information card for entry 7011261

Structure parameters

• Formula: C28 H20 N4 S6 Sn
• Calculated formula: C28 H20 N4 S6 Sn
• Title of publication: The structural chemistry of organotin derivatives of 5-mercapto-3-phenyl-1,3,4-thiadiazoline-2-thione: supramolecular structures involving intermolecular SnS, N‒HS or SS interactions
• Authors of publication: Vasile Berceanc; Crina Crainic; Ionel Haiduc; Mary F. Mahon; Kieran C. Molloy; Monica M. Venter; Paul J. Wilson
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1036 - 1045
• a: 11.924 ± 0.001 Å
• b: 21.975 ± 0.002 Å
• c: 11.255 ± 0.001 Å
• α: 90°
• β: 96.34 ± 0.012°
• γ: 90°
• Cell volume: 2931.1 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No