Crystallography Open Database

Information card for entry 1513178

Preview

Coordinates	1513178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H7 Cl2 Cu N O2
Calculated formula	C13 H7 Cl2 Cu N O2
Title of publication	Synthesis, structural analysis and magnetic properties of two novel doubly oxygen bridged binuclear manganese(III) and copper(II) complexes with ONO tridentate ligands
Authors of publication	Yasemin Yahsi; Hulya Kara
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	397
Pages of publication	110 - 116
a	5.2082 ± 0.0003 Å
b	15.8065 ± 0.0012 Å
c	15.2221 ± 0.0012 Å
α	90°
β	106.717 ± 0.006°
γ	90°
Cell volume	1200.17 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	0.817
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.	1513178.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513178.cif
91861	2013-12-16	cif/ Adding structures of 1513178 via cif-deposit CGI script.	1513178.cif