Crystallography Open Database

Information card for entry 7205598

7205597 << 7205598 >> 7205599

Preview

Coordinates	7205598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.5 H54 Cl6 N6 O1.5 S12 Zn3
Calculated formula	C55.5 H28 Cl6 N6 O1.5 S12 Zn3
Title of publication	Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties
Authors of publication	Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	7
Pages of publication	2521
a	25.617 ± 0.005 Å
b	11.331 ± 0.002 Å
c	24.005 ± 0.005 Å
α	90°
β	94.519 ± 0.003°
γ	90°
Cell volume	6946 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1267
Residual factor for significantly intense reflections	0.1003
Weighted residual factors for significantly intense reflections	0.2698
Weighted residual factors for all reflections included in the refinement	0.2934
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180386 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/55.	7205598.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205598.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205598.cif
20970	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205595, 7205596, 7205597, 7205598, 7205599 via cif-deposit CGI script.	7205598.cif