Crystallography Open Database

Information card for entry 7218983

Preview

Coordinates	7218983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H30 Cl3 N5 S
Calculated formula	C40 H30 Cl3 N5 S
Title of publication	Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges
Authors of publication	Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei
Journal of publication	RSC Adv.
Year of publication	2014
a	12.4041 ± 0.0019 Å
b	12.4543 ± 0.0019 Å
c	13.762 ± 0.002 Å
α	111.741 ± 0.002°
β	100.88 ± 0.003°
γ	110.123 ± 0.002°
Cell volume	1728.1 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1475
Weighted residual factors for all reflections included in the refinement	0.1743
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180520 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89.	7218983.cif
128044	2014-12-02	cif/ Adding structures of 7218977, 7218978, 7218979, 7218980, 7218981, 7218982, 7218983, 7218984, 7218985, 7218986, 7218987, 7218988 via cif-deposit CGI script.	7218983.cif