Crystallography Open Database

Information card for entry 7202976

7202975 << 7202976 >> 7202977

Preview

Coordinates	7202976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N O4 S2
Calculated formula	C20 H16 N O4 S2
Title of publication	Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane
Authors of publication	Broker, Grant A.; Tiekink, Edward R. T.
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	11
Pages of publication	1096
a	19.734 ± 0.004 Å
b	7.8916 ± 0.0016 Å
c	23.226 ± 0.005 Å
α	90°
β	100.8 ± 0.03°
γ	90°
Cell volume	3553 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180360 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/29.	7202976.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202976.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202976.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202976.cif