Crystallography Open Database

Information card for entry 4306974

Preview

Coordinates	4306974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 N2 S4 Zn
Calculated formula	C34 H26 N2 S4 Zn
SMILES	[Zn]1(Sc2ccccc2)(Sc2ccccc2)[n]2cccc3c2c2[n]1cccc2c(c3c1ccsc1C)c1ccsc1C
Title of publication	Syntheses, Luminescence Switching, and Electrochemical Studies of Photochromic Dithienyl-1,10-phenanthroline Zinc(II) Bis(thiolate) Complexes
Authors of publication	Tung-Wan Ngan; Chi-Chiu Ko; Nianyong Zhu; Vivian Wing-Wah Yam
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1144 - 1152
a	25.168 ± 0.005 Å
b	14.457 ± 0.003 Å
c	17.048 ± 0.003 Å
α	90°
β	91.28 ± 0.03°
γ	90°
Cell volume	6201 ± 2 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	0.883
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
179107 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/69.	4306974.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306974.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306974.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306974.cif