Crystallography Open Database

Information card for entry 7214810

Preview

Coordinates	7214810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 Cl4 Fe Mn2 N11 O8
Calculated formula	C56 H72 Cl4 Fe Mn2 N11 O8
Title of publication	Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes
Authors of publication	Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	21
Pages of publication	7320
a	16.2948 ± 0.0003 Å
b	16.2948 ± 0.0003 Å
c	19.3671 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	4453.42 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180479 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/48.	7214810.cif
110976	2014-04-20	cif/ Adding structures of 7214810, 7214811, 7214812 via cif-deposit CGI script.	7214810.cif