Crystallography Open Database

Information card for entry 7208614

7208613 << 7208614 >> 7208615

Preview

Coordinates	7208614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 Ba2 N4 O24
Calculated formula	C24 H56 Ba2 N4 O24
Title of publication	The first example of a molecule-based ferroelectric with barium cation: catena-(μ2-nitrito-O,O)-bi-aqua-(18-crown-6)-barium nitrite
Authors of publication	Fu, Da-Wei; Zhang, Yi; Cai, Hong-Ling; Zhu, Hao-miao; Chen, Xue-yuan; Xiong, Ren-Gen
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	34
Pages of publication	17525
a	27.108 ± 0.005 Å
b	17.406 ± 0.004 Å
c	17.248 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8138 ± 3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
180417 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/86.	7208614.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208614.cif
66554	2012-09-11	cif/ Adding structures of 7208614, 7208615 via cif-deposit CGI script.	7208614.cif