Crystallography Open Database

Information card for entry 1513177

Preview

Coordinates	1513177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Cl4 Mn2 N2 O6
Calculated formula	C22 H28 Cl4 Mn2 N2 O6
SMILES	[Mn]123(Cl)(Oc4ccc(Cl)cc4C=[N]3CCC[O]1[Mn]13(Cl)(Oc4ccc(Cl)cc4C=[N]3CCC[O]21)[OH]C)[OH]C
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	10.295 ± 0.005 Å
b	17.826 ± 0.005 Å
c	7.705 ± 0.005 Å
α	90°
β	101.897 ± 0.005°
γ	90°
Cell volume	1383.6 ± 1.2 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	0.0866
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	0.71069 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.	1513177.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513177.cif
91860	2013-12-16	cif/ Adding structures of 1513177 via cif-deposit CGI script.	1513177.cif