Crystallography Open Database

Information card for entry 7212938

Preview

Coordinates	7212938.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TTF diamide
Formula	C16 H22 N2 O2 S6
Calculated formula	C16 H22 N2 O2 S6
Title of publication	Synthesis and electrical conductivity of perchlorate-doped TTF‒diamide nanofibers with double and triple helix structures
Authors of publication	Ahn, Sejung; Kim, Yukyung; Beak, Seungjae; Ishimoto, Shohei; Enozawa, Hideo; Isomura, Eigo; Hasegawa, Masashi; Iyoda, Masahiko; Park, Yungwoo
Journal of publication	Journal of Materials Chemistry
Year of publication	2010
Journal volume	20
Journal issue	48
Pages of publication	10817
a	9.2527 ± 0.0013 Å
b	9.6356 ± 0.0014 Å
c	13.2935 ± 0.0019 Å
α	96.214 ± 0.002°
β	110.077 ± 0.002°
γ	94.487 ± 0.002°
Cell volume	1098.1 ± 0.3 Å³
Cell temperature	198 K
Ambient diffraction temperature	198 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1901
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
180460 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/29.	7212938.cif
93683	2014-01-13	cif/ Adding structures of 7212938 via cif-deposit CGI script.	7212938.cif