Crystallography Open Database

Information card for entry 4106845

Preview

Coordinates	4106845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 Fe N O6
Calculated formula	C3 H7.02 Fe N O6
Title of publication	Coexistence of Magnetic and Electric Orderings in the Metal-Formate Frameworks of [NH4][M(HCOO)3]
Authors of publication	Guan-Cheng Xu; Wen Zhang; Xiao-Ming Ma; Yi-Hong Chen; Li Zhang; Hong-Ling Cai; Zhe-Ming Wang; Ren-Gen Xiong; Song Gao
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14948 - 14951
a	7.3236 ± 0.0002 Å
b	7.3236 ± 0.0002 Å
c	8.318 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	386.37 ± 0.02 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	5
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
178814 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/68.	4106845.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106845.cif
53657	2012-04-20	cif/ Adding structures of 4106845 via cif-deposit CGI script.	4106845.cif