Crystallography Open Database

Information card for entry 1512727

Preview

Coordinates	1512727.cif

Structure parameters

Formula	C14 H13 N5 O Zn
Calculated formula	C14 H13 N5 O Zn
Title of publication	Molecular structures of dinuclear zinc(II) complexes of chiral tridentate imine and amine ligands: Effect of ligand geometry on diastereoselectivity
Authors of publication	Himanshu Sekhar Jena; Vadivelu Manivannan
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	210 - 219
a	6.2073 ± 0.0011 Å
b	10.5477 ± 0.0019 Å
c	11.406 ± 0.002 Å
α	67.647 ± 0.012°
β	87.4 ± 0.013°
γ	79.832 ± 0.012°
Cell volume	679.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0398
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	1512727.cif
90802	2013-11-18	cif/ Adding structures of 1512727 via cif-deposit CGI script.	1512727.cif