Information card for entry 2012780

Structure parameters

• Chemical name: 6,6'-spirobi[6,7-dihydro-5H-1,3,4,8-tetrathia-6-stannaazulene]-2,2'-dithione
• Formula: C10 H8 S10 Sn
• Calculated formula: C10 H8 S10 Sn
• SMILES: C1[Sn]2(CSC3=C(SC2)SC(=S)S3)CSC2=C(S1)SC(=S)S2
• 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: 11.3973 ± 0.0004 Å
• b: 14.2749 ± 0.0005 Å
• c: 12.5609 ± 0.0005 Å
• α: 90°
• β: 114.625 ± 0.001°
• γ: 90°
• Cell volume: 1857.74 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.047
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes