Crystallography Open Database

Information card for entry 2227425

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Structure parameters

Chemical name	Tris(2,4-dimethylbenzenethiolato)phenyltin(IV)
Formula	C30 H32 S3 Sn
Calculated formula	C30 H32 S3 Sn
SMILES	[Sn](Sc1c(cc(cc1)C)C)(Sc1c(cc(cc1)C)C)(Sc1c(cc(cc1)C)C)c1ccccc1
Title of publication	Tris(2,4-dimethylbenzenethiolato)phenyltin(IV)
Authors of publication	Flores-Figueroa, Aarón; Hernández-Ortega, Simón; Castillo, Ivan
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	11
Pages of publication	m1389 - m1390
a	9.2717 ± 0.0007 Å
b	10.637 ± 0.0008 Å
c	15.6486 ± 0.0011 Å
α	93.42 ± 0.002°
β	93.52 ± 0.001°
γ	105.8 ± 0.001°
Cell volume	1477.51 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	0.858
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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