Crystallography Open Database

Information card for entry 2012779

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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 Å³
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 F_obs	Yes

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