Crystallography Open Database

Information card for entry 8103147

Preview

Coordinates	8103147.cif

Structure parameters

Formula	C17 H26 Cl2 N2 O2 Zn
Calculated formula	C17 H26 Cl2 N2 O2 Zn
SMILES	[Zn]1(Cl)(Cl)[N](=Cc2c(O1)cc(OC)cc2)CCC[NH2+]C1CCCCC1
Title of publication	Crystal structure of dichloro-2-[(3-cyclohexylamino-propylimino)-methyl]-5-methoxyphenolatozinc(II), Zn(C17H26N2O2)Cl2
Authors of publication	Shu-Jing Li; Ke Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	319
a	25.102 ± 0.004 Å
b	10.5404 ± 0.0018 Å
c	14.994 ± 0.002 Å
α	90°
β	91.445 ± 0.002°
γ	90°
Cell volume	3965.9 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0463
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	8103147.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.	8103147.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103147.cif
29123	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103147 via cif-deposit CGI script.	8103147.cif