Crystallography Open Database

Information card for entry 1504786

Preview

Coordinates	1504786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H5 F6 S4 Sb
Calculated formula	C13 H5 F6 S4 Sb
Title of publication	Tetrathiophenalenyl radical and its disulfide-bridged dimer.
Authors of publication	Beer, Leanne; Reed, Robert W.; Robertson, Craig M.; Oakley, Richard T.; Tham, Fook S.; Haddon, Robert C.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	14
Pages of publication	3121 - 3123
a	10.4642 ± 0.0016 Å
b	6.7373 ± 0.001 Å
c	21.759 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1534 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504786.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504786.cif
42363	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504786 via cif-deposit CGI script.	1504786.cif