Crystallography Open Database

Information card for entry 4303997

Preview

Coordinates	4303997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 Co N S12
Calculated formula	C36 H52 Co N S12
SMILES	[Co]12(SC3=C(S1)SC(S3)=C1SC3=C(S1)CCCC3)SC1=C(S2)SC(S1)=C1SC2=C(S1)CCCC2.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Conducting Dimerized Cobalt Complexes with Tetrathiafulvalene Dithiolate Ligands
Authors of publication	Emiko Fujiwara; Kazumasa Hosoya; Akiko Kobayashi; Hisashi Tanaka; Madoka Tokumoto; Yoshinori Okano; Hideki Fujiwara; Hayao Kobayashi; Yuichi Fujishiro; Eiji Nishibori; Masaki Takata; Makoto Sakata
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	863 - 874
a	11.235 ± 0.002 Å
b	12.214 ± 0.003 Å
c	17.701 ± 0.005 Å
α	83.05 ± 0.02°
β	81.39 ± 0.02°
γ	65.82 ± 0.02°
Cell volume	2186.1 ± 1 Å³
Cell temperature	296.1 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 significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.627
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.	4303997.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303997.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303997.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4303997.cif