Crystallography Open Database

Information card for entry 8103352

Preview

Coordinates	8103352.cif

Structure parameters

Formula	C20 H20 Br4 N2 O2 Zn
Calculated formula	C20 H20 Br4 N2 O2 Zn
SMILES	[Zn]12([N](=Cc3c(O1)c(Br)cc(Br)c3)C(C)C)[N](=Cc1c(O2)c(Br)cc(Br)c1)C(C)C
Title of publication	Crystal structure of bis(3,5-dibromo-N-isopropylsalicylaldiminato-k2N,O)zinc(II), Zn(C10H10Br2NO)2
Authors of publication	Mingxia Guo; Tifeng Shen; Yingjie Cai
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	2
Pages of publication	140
a	9.911 ± 0.004 Å
b	13.316 ± 0.005 Å
c	19.908 ± 0.008 Å
α	73.054 ± 0.007°
β	76.083 ± 0.007°
γ	81.981 ± 0.007°
Cell volume	2432.7 ± 1.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.1318
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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.	8103352.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.	8103352.cif
62113	2012-07-07	cif/ Adding structures of 8103352 via cif-deposit CGI script.	8103352.cif