Crystallography Open Database

Information card for entry 7205595

7205594 << 7205595 >> 7205596

Preview

Coordinates	7205595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H35 Cl2 N6 O8 S8 Zn
Calculated formula	C35.5 H30 Cl2 N6 O8 S8 Zn
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	18.078 ± 0.006 Å
b	37.848 ± 0.01 Å
c	15.839 ± 0.005 Å
α	90°
β	123.46 ± 0.004°
γ	90°
Cell volume	9041 ± 5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1216
Residual factor for significantly intense reflections	0.098
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	0.948
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7205595.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205595.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205595.cif
20970	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205595, 7205596, 7205597, 7205598, 7205599 via cif-deposit CGI script.	7205595.cif