Information card for entry 2012779

Structure parameters

• Chemical name: 6,6-Diphenyl-6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene-2-thione
• Formula: C17 H14 S5 Sn
• Calculated formula: C17 H14 S5 Sn
• SMILES: [Sn]1(CSC2SC(=S)SC=2SC1)(c1ccccc1)c1ccccc1
• Title of publication: 6,6-Diphenyl-6,7-dihydro-5<i>H</i>-1,3,4,8-tetrathia-6-stannazulene-2-thione and 6,6'-spirobi[6,7-dihydro-5<i>H</i>-1,3,4,8-tetrathia-6-stannazulene]-2,2'-dithione
• Authors of publication: Harrison, William T. A.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m351 - m354
• a: 8.6706 ± 0.0005 Å
• b: 8.5319 ± 0.0006 Å
• c: 13.3143 ± 0.0009 Å
• α: 90°
• β: 103.84 ± 0.001°
• γ: 90°
• Cell volume: 956.35 ± 0.11 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes