Crystallography Open Database

Information card for entry 4079038

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Structure parameters

Formula	C19 H16 P2 S2
Calculated formula	C19 H16 P2 S2
SMILES	C1P(c2ccccc2P1(c1ccccc1)=S)(c1ccccc1)=S
Title of publication	Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds
Authors of publication	Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	18
Pages of publication	6538
a	12.373 ± 0.0006 Å
b	9.0666 ± 0.0004 Å
c	16.4623 ± 0.0007 Å
α	90°
β	101.19 ± 0.002°
γ	90°
Cell volume	1811.65 ± 0.14 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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