Crystallography Open Database

Information card for entry 4511844

Preview

Coordinates	4511844.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Trithiocyanuric acid+4,4'-bipyridine+DMSO
Formula	C18 H20 N8 O S7
Calculated formula	C18 H20 N8 O S7
Title of publication	Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds
Authors of publication	Nagarajan, V.; Pedireddi, Venkateswara Rao
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	9
Pages of publication	4803
a	7.311 ± 0.001 Å
b	12.674 ± 0.001 Å
c	13.968 ± 0.0001 Å
α	92.78 ± 0.01°
β	91.73 ± 0.01°
γ	91.83 ± 0.01°
Cell volume	1291.4 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
179665 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18.	4511844.cif
122852	2014-09-06	cif/ Updating files of 4511844, 4511845, 4511846, 4511847, 4511848, 4511849 Original log message: Adding full bibliography for 4511844--4511849.cif.	4511844.cif
122436	2014-08-23	cif/ Adding structures of 4511844, 4511845, 4511846, 4511847, 4511848, 4511849 via cif-deposit CGI script.	4511844.cif