Crystallography Open Database

Information card for entry 4106844

Preview

Coordinates	4106844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 Mn N O6
Calculated formula	C3 H7 Mn 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	12.6685 ± 0.0003 Å
b	12.6685 ± 0.0003 Å
c	8.5374 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	1186.61 ± 0.05 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 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	0.0544
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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.	4106844.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106844.cif
53656	2012-04-20	cif/ Adding structures of 4106844 via cif-deposit CGI script.	4106844.cif