Crystallography Open Database

Information card for entry 7113674

Preview

Coordinates	7113674.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	LH2Zn2Cl4aCH2Cl2
Formula	C21 H30 Cl6 N4 O Zn2
Calculated formula	C21 H30 Cl6 N4 O Zn2
SMILES	[Zn]1(Cl)(Cl)[NH](c2c3oc4c([NH]([Zn]5(Cl)Cl)CC[N]5(C)C)cccc4c3ccc2)CC[N]1(C)C.ClCCl
Title of publication	New dibenzofuran-bridged bis(amidoamine) and bis(ethylenediamine) ligands and their dinuclear zinc and aluminium complexes
Authors of publication	Hlavinka, Mark L.; Hagadorn, John R.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	21
Pages of publication	2686 - 2687
a	13.9254 ± 0.0006 Å
b	18.4546 ± 0.0007 Å
c	11.2231 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2884.2 ± 0.2 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104880
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210662 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7104880-7104882, 7113674-7113676. Marking entries 7113674-7113676 as duplicates of entries 7104880-7104882.	7113674.cif
180250	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/36.	7113674.cif
115199	2014-06-02	cif/ Adding structures of 7113674, 7113675, 7113676 via cif-deposit CGI script.	7113674.cif