Crystallography Open Database

Information card for entry 7011778

Preview

Coordinates	7011778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 Ni2 O S20 Te
Calculated formula	C17 H11 Ni2 O S20 Te0.65
Title of publication	Unique structural and physical properties of Ni(dmit)2 anion radical salts characterized by short Te???S contacts (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Authors of publication	Fujiwara, Masahiro; Kato, Reizo
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	19
Pages of publication	3763
a	11.786 ± 0.005 Å
b	19.266 ± 0.004 Å
c	7.548 ± 0.002 Å
α	92.54 ± 0.02°
β	101.78 ± 0.03°
γ	82.06 ± 0.02°
Cell volume	1661.5 ± 0.9 Å³
Cell temperature	293.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7011778.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011778.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011778.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011778.cif