Crystallography Open Database

Information card for entry 4081565

Preview

Coordinates	4081565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C188 H350 Cu4 Fe4 N20 O29
Calculated formula	C188 H350 Cu4 Fe4 N20 O29
Title of publication	Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes
Authors of publication	Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	20
Pages of publication	5988
a	26.1634 ± 0.0004 Å
b	13.0428 ± 0.0002 Å
c	30.4873 ± 0.0004 Å
α	90°
β	103.463 ± 0.001°
γ	90°
Cell volume	10117.7 ± 0.3 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	0.861
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
178704 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/15.	4081565.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4081565.cif
89758	2013-11-10	cif/ Adding structures of 4081561, 4081562, 4081563, 4081564, 4081565, 4081566, 4081567 via cif-deposit CGI script.	4081565.cif