Crystallography Open Database

Information card for entry 7052687

Preview

Coordinates	7052687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 F6 O6 S8 Zn
Calculated formula	C34 H24 F6 O6 S8 Zn
Title of publication	An asymmetric TTF derivative bearing a phenyl β-diketone group as an efficient ligand towards functional materials
Authors of publication	Wang, Yu; Li, Bo; Huang, Guolong; Zhang, Jing-Ping; Zhang, Yan
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	7
Pages of publication	1472
a	5.2175 ± 0.0005 Å
b	10.5765 ± 0.001 Å
c	34.092 ± 0.003 Å
α	90°
β	90.726 ± 0.002°
γ	90°
Cell volume	1881.1 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052687.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052687.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052687.cif
23728	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052687 via cif-deposit CGI script.	7052687.cif