Crystallography Open Database

Information card for entry 4334092

Preview

Coordinates	4334092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 F4 Mn N2 O6
Calculated formula	C18 H12 F4 Mn N2 O6
Title of publication	Manganese-Based Layered Coordination Polymer: Synthesis, Structural Characterization, Magnetic Property, and Electrochemical Performance in Lithium-Ion Batteries
Authors of publication	Qi Liu; Lili Yu; Ying Wang; Yunzhou Ji; Josip Horvat; Mei-Ling Cheng; Xiaoyan Jia; Guoxiu Wang
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2817 - 2822
a	7.136 ± 0.001 Å
b	8.079 ± 0.003 Å
c	8.522 ± 0.002 Å
α	90.55 ± 0.02°
β	109.29 ± 0.01°
γ	95.35 ± 0.02°
Cell volume	461.3 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179443 (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 4/33/40.	4334092.cif
99905	2014-02-04	cif/ Adding structures of 4334092 via cif-deposit CGI script.	4334092.cif