Crystallography Open Database

Information card for entry 4345112

Preview

Coordinates	4345112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 Fe Mn N O12
Calculated formula	C8 H6 Fe Mn N0.9999 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	8.2777 ± 0.0001 Å
b	8.2777 ± 0.0001 Å
c	13.8953 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	824.552 ± 0.018 Å³
Cell temperature	30 ± 2 K
Ambient diffraction temperature	30 ± 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	0.0257
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.252
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
191260 (current)	2017-02-04	cif/ Adding structures of 4345112 via cif-deposit CGI script.	4345112.cif