Crystallography Open Database

Information card for entry 4081567

Preview

Coordinates	4081567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.25 H55 Cu3 Fe N11 O15.23
Calculated formula	C32.25 H55 Cu3 Fe N10.9933 O15.23
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	27.2381 ± 0.001 Å
b	27.2381 ± 0.001 Å
c	34.7756 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	22343.9 ± 1.4 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1236
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.2641
Weighted residual factors for all reflections included in the refinement	0.2826
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4081567.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4081567.cif
89758	2013-11-10	cif/ Adding structures of 4081561, 4081562, 4081563, 4081564, 4081565, 4081566, 4081567 via cif-deposit CGI script.	4081567.cif