Crystallography Open Database

Information card for entry 4331898

Preview

Coordinates	4331898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H11 F3 Fe N2 O3 P
Calculated formula	C2 H11 F3 Fe N2 O3 P
Title of publication	Parametrization of the Magnetic Behavior of the Triangular Spin Ladder Chains Organically Templated: (C2N2H10)[M(HPO3)F3] (MIII= Fe, Cr, and V). Crystal Structure and Thermal and Spectroscopic Properties of the Iron(III) Phase
Authors of publication	Fernández-Armas, Sergio; Mesa, José L.; Pizarro, José L.; Clemente-Juan, Juan Modesto; Coronado, Eugenio; Arriortua, María I.; Rojo, Teófilo
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	8
Pages of publication	3240 - 3248
a	12.906 ± 0.004 Å
b	9.528 ± 0.002 Å
c	6.438 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	791.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	0.822
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
179421 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18.	4331898.cif
97955	2014-01-29	cif/ Adding structures of 4331898 via cif-deposit CGI script.	4331898.cif