Crystallography Open Database

Information card for entry 7209514

7209513 << 7209514 >> 7209515

Preview

Coordinates	7209514.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C28 H28 Co1.5 N12 O10 W
Calculated formula	C28 H28 Co1.5 N12 O10 W
Title of publication	Magnetic anisotropy of CoII‒WV ferromagnet: single crystal and ab initio study
Authors of publication	Chorazy, Szymon; Podgajny, Robert; Majcher, Anna M.; Nitek, Wojciech; Rams, Michał; Suturina, Elizaveta A.; Ungur, Liviu; Chibotaru, Liviu F.; Sieklucka, Barbara
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	13
Pages of publication	2378
a	10.457 ± 0.0001 Å
b	19.097 ± 0.0002 Å
c	17.707 ± 0.0002 Å
α	90°
β	91.212 ± 0.001°
γ	90°
Cell volume	3535.25 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for significantly intense reflections	69.706
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	7209514.cif
86007	2013-05-09	cif/ Adding structures of 7209514 via cif-deposit CGI script.	7209514.cif