Crystallography Open Database

Information card for entry 7009594

Preview

Coordinates	7009594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H40 Cu4 N6 S4 W
Calculated formula	C20 H40 Cu4 N6 S4 W
Title of publication	Studies on two interesting microporous polymeric clusters {[Et4N]2[MS4Cu4(CN)4]}n (M = Mo or W) with three-dimensional open frameworks: synthesis, structural characterization, strong optical non-linearities and large optical limiting properties
Authors of publication	Zhang, Chi; Song, Yinglin; Xu, Yan; Fun, Hoongkun; Fang, Guangyu; Wang, Yuxiao; Xin, Xinquan
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	16
Pages of publication	2823
a	10.8968 ± 0.0001 Å
b	23.0553 ± 0.0003 Å
c	23.287 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	5850.37 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
179799 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/95.	7009594.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009594.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009594.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7009594.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009594.cif