Crystallography Open Database

Information card for entry 7211044

Preview

Coordinates	7211044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 Cs2 N6 S6
Calculated formula	C6 H4 Cs2 N6 S6
Title of publication	Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals
Authors of publication	Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9400
a	5.41409 ± 0.00008 Å
b	21.2829 ± 0.0003 Å
c	14.9761 ± 0.0002 Å
α	90°
β	92.3402 ± 0.0013°
γ	90°
Cell volume	1724.22 ± 0.04 Å³
Cell temperature	300 ± 0.14 K
Ambient diffraction temperature	300 ± 0.14 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.223
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180441 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/10.	7211044.cif
90187	2013-11-17	cif/ Adding structures of 7211038, 7211039, 7211040, 7211041, 7211042, 7211043, 7211044 via cif-deposit CGI script.	7211044.cif