Crystallography Open Database

Information card for entry 4345113

Preview

Coordinates	4345113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 Co Fe N O12
Calculated formula	C8 H6 Co Fe N1.002 O12
Title of publication	Magnetic Structures of Heterometallic M(II)-M(III) Formate Compounds.
Authors of publication	Mazzuca, Lidia; Cañadillas-Delgado, Laura; Rodríguez-Velamazán, J Alberto; Fabelo, Oscar; Scarrozza, Marco; Stroppa, Alessandro; Picozzi, Silvia; Zhao, Jiong-Peng; Bu, Xian-He; Rodríguez-Carvajal, Juan
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	1
Pages of publication	197 - 207
a	8.2114 ± 0.0001 Å
b	8.2114 ± 0.0001 Å
c	13.6951 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	799.71 ± 0.02 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.228
Diffraction radiation wavelength	0.66951 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191261 (current)	2017-02-04	cif/ Adding structures of 4345113 via cif-deposit CGI script.	4345113.cif