Crystallography Open Database

Information card for entry 1520506

1520505 << 1520506 >> 1520507

Preview

Coordinates	1520506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Cl4 N2 O2 Zn
Calculated formula	C30 H24 Cl4 N2 O2 Zn
SMILES	[Zn]12(Oc3c(Cl)cc(Cl)cc3C=[N]2CCc2ccccc2)Oc2c(Cl)cc(Cl)cc2C=[N]1CCc1ccccc1
Title of publication	A novel cascade strategy with supramolecular and chemodosimetric methods for designing a fluorescent ratiometric detector hypersensitive to trace water.
Authors of publication	Men, Guangwen; Chen, Chunrong; Liang, Chunshuang; Han, Wenkun; Jiang, Shimei
Journal of publication	The Analyst
Year of publication	2015
Journal volume	140
Journal issue	16
Pages of publication	5454 - 5458
a	21.692 ± 0.008 Å
b	4.8468 ± 0.0016 Å
c	28.611 ± 0.01 Å
α	90°
β	111.442 ± 0.016°
γ	90°
Cell volume	2799.9 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0374
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520506.cif
153061	2015-08-08	cif/ Updating files of 1520506 Original log message: Adding full bibliography for 1520506.cif.	1520506.cif
139058	2015-06-11	cif/ Adding structures of 1520506 via cif-deposit CGI script.	1520506.cif