Crystallography Open Database

Information card for entry 7203741

7203740 << 7203741 >> 7203742

Preview

Coordinates	7203741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Cl4 N6 Zn2
Calculated formula	C40 H36 Cl4 N6 Zn2
SMILES	C1[N]2(Cc3[n](cccc3)[Zn]2([n]2ccccc12)(Cl)Cl)Cc1c2ccccc2c(c2ccccc12)C[N]12Cc3[n](cccc3)[Zn]2([n]2c(C1)cccc2)(Cl)Cl
Title of publication	PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units
Authors of publication	Kubo, Kanji; Mori, Akira
Journal of publication	Journal of Materials Chemistry
Year of publication	2005
Journal volume	15
Journal issue	27-28
Pages of publication	2902
a	10.283 ± 0.002 Å
b	14.73 ± 0.003 Å
c	12.818 ± 0.002 Å
α	90°
β	101.67 ± 0.01°
γ	90°
Cell volume	1901.4 ± 0.6 Å³
Cell temperature	173.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.5419 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7203741.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203741.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203741.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203741.cif