Crystallography Open Database

Information card for entry 4106843

Preview

Coordinates	4106843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 Mn N O6
Calculated formula	C3 H7.02 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	7.3622 ± 0.0002 Å
b	7.3622 ± 0.0002 Å
c	8.4885 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	398.45 ± 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	0.0222
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0512
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4106843.html