Crystallography Open Database

Information card for entry 4119559

4119558 << 4119559 >> 4119560

Preview

Coordinates	4119559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 Co D4 K N8
Calculated formula	C10 H12 Co D4 K N8
Title of publication	Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal
Authors of publication	Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	5230 - 5233
a	8.277 ± 0.005 Å
b	8.277 ± 0.005 Å
c	11.622 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	796.2 ± 0.9 Å³
Cell temperature	280 ± 2 K
Ambient diffraction temperature	280 ± 2 K
Number of distinct elements	6
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.228
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178966 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/95.	4119559.cif
103718	2014-03-06	cif/ Adding structures of 4119559 via cif-deposit CGI script.	4119559.cif