Crystallography Open Database

Information card for entry 7204115

7204114 << 7204115 >> 7204116

Preview

Coordinates	7204115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6.26 H4 Cl0.43 N0.26 S4 Se0.26
Calculated formula	C6.26 H4 Cl0.43 S4
Title of publication	Preparation, structure and conduction properties of SeCN-containing mixed anion TTF conductors
Authors of publication	Mizuno, Masagi; Kokubo, Hisashi; Honda, Kazumasa
Journal of publication	Journal of Materials Chemistry
Year of publication	2001
Journal volume	11
Journal issue	9
Pages of publication	2192
a	11.2031 ± 0.0006 Å
b	11.2031 ± 0.0006 Å
c	3.6001 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	451.85 ± 0.05 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	6
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.1261
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for all reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	4.043
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7204115.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204115.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204115.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204115.cif