Crystallography Open Database

Information card for entry 1512433

Preview

Coordinates	1512433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cl2 N6 O4 Zn2
Calculated formula	C20 H16 Cl2 N6 O4 Zn2
SMILES	[Zn]123(Cl)[O]([Zn]45(Cl)[O]1C(=O)Cn1[n]5c(c5[n]4cccc5)cc1)C(=O)Cn1[n]3c(cc1)c1[n]2cccc1
Title of publication	Four novel coordination compounds containing Hpypza ligand [Hpypza = [3-(2-pyridyl)-1-pyrazolyl] acetic acid]
Authors of publication	Jie Yang; Lei Shen; Gao-Wen Yang; Qiao-Yun Li; Liu-Liu Zhu; Wei Shen; Cheng Ji; Xiao-Feng Shen
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	25 - 29
a	7.8171 ± 0.0016 Å
b	8.0306 ± 0.0016 Å
c	9.3261 ± 0.0019 Å
α	94.84 ± 0.03°
β	107.31 ± 0.03°
γ	98.51 ± 0.03°
Cell volume	547.6 ± 0.2 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	0.0743
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
176729 (current)	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 1.	1512433.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512433.cif
89362	2013-10-24	cif/ Adding structures of 1512433 via cif-deposit CGI script.	1512433.cif