Crystallography Open Database

Information card for entry 4115495

Preview

Coordinates	4115495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 As F6 S16
Calculated formula	C24 H24 As0.5 F6 S16
Title of publication	New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]
Authors of publication	Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	4174 - 4180
a	8.523 ± 0.003 Å
b	17.449 ± 0.005 Å
c	6.518 ± 0.002 Å
α	93.95 ± 0.02°
β	110.74 ± 0.02°
γ	89.13 ± 0.02°
Cell volume	904.3 ± 0.5 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 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	0.0562
Residual factor for significantly intense reflections	0.056
Weighted residual factors for all reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections	2.053
Goodness-of-fit parameter for all reflections included in the refinement	2.05
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115495.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115495.cif
69049	2012-12-02	cif/ Adding structures of 4115495 via cif-deposit CGI script.	4115495.cif