Crystallography Open Database

Information card for entry 8102348

Preview

Coordinates	8102348.cif

Structure parameters

Formula	C14 H21 Cl3 N2 O Zn
Calculated formula	C14 H21 Cl3 N2 O Zn
SMILES	[Zn]1(Cl)(Cl)Oc2c(cc(Cl)cc2)C=[N]1CCC[NH+](CC)CC
Title of publication	Crystal structure of dichlorido{4-chloro-2-[(3-diethylammoniopropylimino)methyl]phenolato}zinc(II), [Zn(C14H21ClN2O)]Cl2
Authors of publication	Xiao-Yang Qiu; Ying Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	459
a	7.1207 ± 0.001 Å
b	15.801 ± 0.002 Å
c	15.72 ± 0.002 Å
α	90°
β	92.188 ± 0.002°
γ	90°
Cell volume	1767.4 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102348.cif
176728	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 8.	8102348.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102348.cif
13087	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102348 via cif-deposit CGI script.	8102348.cif