Crystallography Open Database

Information card for entry 7219541

7219540 << 7219541 >> 7219542

Preview

Coordinates	7219541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.56 H6.4 Mo2 N0.32 S4
Calculated formula	C2.56 H6.4 Mo2 N0.32 S4
Title of publication	Ridges and Valleys on Charged 1T-MoS₂ Sheets Guiding the Packing of Organic Cations
Authors of publication	Goloveshkin, Alexander S.; Lenenko, Natalia D.; Zaikovskii, Vladimir I.; Golub, Alexandre S.; Korlyukov, Alexandr S.; Bushmarinov, Ivan S.
Journal of publication	RSC Adv.
Year of publication	2015
a	5.6924 ± 0.0005 Å
b	3.2077 ± 0.0003 Å
c	11.084 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	202.39 ± 0.06 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor R(I) for significantly intense reflections	0.01029
Goodness-of-fit parameter for all reflections	2.254
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7219541.cif
132410	2015-02-25	cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ \| perl -ne 'print $1."\n" if /\b(\d{7})\s$/' \ \| codid2file \ \| xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s? ( \n ; \s? \n ; \| '\'' \s '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse'	7219541.cif
131710	2015-02-11	cif/ Adding structures of 7219540, 7219541, 7219542 via cif-deposit CGI script.	7219541.cif