Crystallography Open Database

Information card for entry 4327177

Preview

Coordinates	4327177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 Cl2 F3 N2 O5 P S3 Sb
Calculated formula	C29 H29 Cl2 F3 N2 O5 P S3 Sb
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	9.1339 ± 0.0005 Å
b	11.8823 ± 0.0007 Å
c	16.8352 ± 0.001 Å
α	81.367 ± 0.002°
β	79.485 ± 0.002°
γ	71.365 ± 0.002°
Cell volume	1694.01 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4327177.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4327177.cif
49956	2012-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4327177 via cif-deposit CGI script.	4327177.cif