Crystallography Open Database

Information card for entry 4511510

Preview

Coordinates	4511510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cd2 Cl4 N10
Calculated formula	C24 H18 Cd2 Cl4 N10
SMILES	c12cccc[n]1[Cd]1(Cl)([n]3c(c4ccccn4)[nH]nc23)[Cl][Cd]2([n]3c(c4ccccn4)[nH]nc3c3cccc[n]23)(Cl)[Cl]1
Title of publication	Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions
Authors of publication	Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	9
Pages of publication	2126
a	8.172 Å
b	8.8068 ± 0.0001 Å
c	11.0669 ± 0.0001 Å
α	67.496 ± 0.009°
β	75.765 ± 0.01°
γ	70.771 ± 0.009°
Cell volume	688.19 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0323
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4511510.cif
118628	2014-06-30	cif/ Adding structures of 4511510 via cif-deposit CGI script.	4511510.cif