Crystallography Open Database

Information card for entry 4328399

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Structure parameters

Common name	[(thienyl)2P]2
Formula	C16 H12 P2 S4
Calculated formula	C16 H12 P2 S4
SMILES	c1(cccs1)P(c1cccs1)P(c1cccs1)c1cccs1
Title of publication	Synthesis and Characterization of β-Diketiminate Germanium(II) Compounds
Authors of publication	Ying Yang; Na Zhao; Yile Wu; Hongping Zhu; Herbert W. Roesky
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2425 - 2431
a	8.8941 ± 0.0018 Å
b	8.5353 ± 0.0017 Å
c	11.821 ± 0.002 Å
α	90°
β	104.99 ± 0.03°
γ	90°
Cell volume	866.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1151
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.2997
Weighted residual factors for all reflections included in the refinement	0.3419
Goodness-of-fit parameter for all reflections included in the refinement	1.234
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4328399.cif
179386	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/83.	4328399.cif
77365	2013-03-26	cif/ Adding structures of 4328399 via cif-deposit CGI script.	4328399.cif