Crystallography Open Database

Information card for entry 4333589

Preview

Coordinates	4333589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 Cl4 N5 Zn2
Calculated formula	C24 H21 Cl4 N5 Zn2
SMILES	[Zn]1(Cl)(Cl)[n]2c(cccc2)CN(Cc2[n]1cccc2)c1cccc([N]2[Zn](Cl)(Cl)[n]3c(cccc3)C=2)c1
Title of publication	Syntheses and Electronic Structure of Bimetallic Complexes Containing a Flexible Redox-Active Bridging Ligand
Authors of publication	Stacey Lindsay; Siu K. Lo; Oliver R. Maguire; Eckhard Bill; Michael R. Probert; Stephen Sproules; Corinna R. Hess
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	898 - 909
a	7.1827 ± 0.0002 Å
b	9.441 ± 0.0002 Å
c	20.274 ± 0.0004 Å
α	77.856 ± 0.001°
β	87.949 ± 0.001°
γ	72.37 ± 0.001°
Cell volume	1280.35 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54188 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179438 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/35.	4333589.cif
99384	2014-01-31	cif/ Adding structures of 4333589 via cif-deposit CGI script.	4333589.cif