Crystallography Open Database

Information card for entry 7219543

7219542 << 7219543 >> 7219544

Preview

Coordinates	7219543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H45.5 Cl2 N2 O14.5
Calculated formula	C21 H46 Cl2 N2 O14.5
Title of publication	A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states
Authors of publication	Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	12
Pages of publication	2479
a	10.337 ± 0.002 Å
b	11.655 ± 0.002 Å
c	13.504 ± 0.003 Å
α	90°
β	108.17 ± 0.03°
γ	90°
Cell volume	1545.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1361
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.2373
Weighted residual factors for all reflections included in the refinement	0.2601
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7219543.cif
134923	2015-04-06	cif/ Updating files of 7219543, 7219544 Original log message: Adding full bibliography for 7219543--7219544.cif.	7219543.cif
131733	2015-02-12	cif/ Adding structures of 7219543, 7219544 via cif-deposit CGI script.	7219543.cif