Crystallography Open Database

Information card for entry 4327815

Preview

Coordinates	4327815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H208 Co4 Fe4 N16 O68 S20
Calculated formula	C128 H204 Co4 Fe4 N16 O68 S20
Title of publication	Novel Heterometallic Schiff Base Complexes Featuring Unusual Tetranuclear {CoIII2FeIII2(μ-O)6} and Octanuclear {CoIII4FeIII4(μ-O)14} Cores: Direct Synthesis, Crystal Structures, and Magnetic Properties
Authors of publication	Eduard N. Chygorin; Oksana V. Nesterova; Julia A. Rusanova; Vladimir N. Kokozay; Volodymyr V. Bon; Roman Boča; Andrew Ozarowski
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	386 - 396
a	16.2029 ± 0.0005 Å
b	16.9908 ± 0.0005 Å
c	18.0633 ± 0.0005 Å
α	113.302 ± 0.002°
β	100.481 ± 0.002°
γ	90.571 ± 0.002°
Cell volume	4472.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2008
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2503
Weighted residual factors for all reflections included in the refinement	0.3297
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
179381 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78.	4327815.cif
76737	2013-03-21	cif/ Adding structures of 4327815 via cif-deposit CGI script.	4327815.cif