Crystallography Open Database

Information card for entry 7205596

7205595 << 7205596 >> 7205597

Preview

Coordinates	7205596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H33 N5 O6 S8 Zn
Calculated formula	C40 H29 N5 O6 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	16.611 ± 0.0016 Å
b	15.9977 ± 0.0015 Å
c	15.7389 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4182.4 ± 0.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
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.	7205596.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205596.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205596.cif
20970	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205595, 7205596, 7205597, 7205598, 7205599 via cif-deposit CGI script.	7205596.cif