Crystallography Open Database

Information card for entry 4327174

Preview

Coordinates	4327174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cl N2 O2 S2 Sb
Calculated formula	C24 H18 Cl N2 O2 S2 Sb
SMILES	[Sb]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	9.862 ± 0.0004 Å
b	14.3596 ± 0.0006 Å
c	17.3069 ± 0.0007 Å
α	66.669 ± 0.002°
β	89.298 ± 0.002°
γ	86.426 ± 0.002°
Cell volume	2245.92 ± 0.16 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	0.0281
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
179374 (current)	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.	4327174.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4327174.cif
49953	2012-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4327174 via cif-deposit CGI script.	4327174.cif