Crystallography Open Database

Information card for entry 4327173

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Structure parameters

Formula	C24 H18 As Cl N2 O2 S2
Calculated formula	C24 H18 As Cl N2 O2 S2
SMILES	[As]1(Cl)N(c2ccc(OC)cc2)c2c(N1c1ccc(OC)cc1)c1ccsc1c1sccc21
Title of publication	Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone
Authors of publication	Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	12810 - 12817
a	8.7034 ± 0.0004 Å
b	13.3155 ± 0.0006 Å
c	19.8063 ± 0.0009 Å
α	90°
β	104.181 ± 0.002°
γ	90°
Cell volume	2225.41 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0266
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4327173.cif
179374	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 4/32/71.	4327173.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4327173.cif
49952	2012-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4327173 via cif-deposit CGI script.	4327173.cif