Crystallography Open Database

Information card for entry 1512787

Preview

Coordinates	1512787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Cl2 N5 O2 Zn
Calculated formula	C25 H27 Cl2 N5 O2 Zn
SMILES	[Zn]12(Cl)(Cl)[n]3ccccc3C[N]1(Cc1[n]2cccc1)CCC(=O)Nc1c2ncccc2ccc1.OC
Title of publication	Zinc selective chemosensors based on the flexible dipicolylamine and quinoline
Authors of publication	Hong Gyu Lee; Ju Hoon Lee; Seung Pyo Jang; In Hong Hwang; Sung-Jin Kim; Youngmee Kim; Cheal Kim; Roger G. Harrison
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	542 - 551
a	7.5246 ± 0.0007 Å
b	9.0423 ± 0.0008 Å
c	20.3129 ± 0.0018 Å
α	84.157 ± 0.001°
β	87.076 ± 0.002°
γ	65.54 ± 0.001°
Cell volume	1251.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512787.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512787.cif
90872	2013-11-20	cif/ Adding structures of 1512787 via cif-deposit CGI script.	1512787.cif