Crystallography Open Database

Information card for entry 7206032

7206031 << 7206032 >> 7206033

Preview

Coordinates	7206032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cu I3 N2
Calculated formula	C16 H22 Cu I3 N2
Title of publication	Dielectric anisotropy of the single crystal of isopropylviologen copper(i) triiodide.
Authors of publication	Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Lang, Jian-Ping
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2011
Journal volume	13
Journal issue	22
Pages of publication	10781 - 10786
a	12.469 ± 0.003 Å
b	11.529 ± 0.002 Å
c	14.906 ± 0.003 Å
α	90°
β	91.38 ± 0.03°
γ	90°
Cell volume	2142.2 ± 0.8 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
180391 (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 7/20/60.	7206032.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206032.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206032.cif
21320	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7206032 via cif-deposit CGI script.	7206032.cif