Crystallography Open Database

Information card for entry 4327172

Preview

Structure parameters

Formula	C24 H18 Cl N2 O2 P S2
Calculated formula	C24 H18 Cl N2 O2 P S2
SMILES	Clp1n(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	8.8245 ± 0.0018 Å
b	10.045 ± 0.002 Å
c	13.898 ± 0.003 Å
α	80.52 ± 0.03°
β	74.17 ± 0.03°
γ	67.92 ± 0.03°
Cell volume	1095.6 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4327172.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.	4327172.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4327172.cif
49951	2012-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4327172 via cif-deposit CGI script.	4327172.cif