Crystallography Open Database

Information card for entry 4106846

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Coordinates	4106846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 Fe N O6
Calculated formula	C3 H7 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	12.6167 ± 0.0003 Å
b	12.6167 ± 0.0003 Å
c	8.3647 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	1153.11 ± 0.05 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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