Information card for entry 7011264

Structure parameters

• Formula: C16 H18 N3 S3 Sn
• Calculated formula: C16 H18 N3 S3 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: 9.57 ± 0.0003 Å
• b: 9.69 ± 0.0003 Å
• c: 12.5 ± 0.0004 Å
• α: 105.222 ± 0.0018°
• β: 96.477 ± 0.002°
• γ: 119.362 ± 0.0016°
• Cell volume: 933.74 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No