Crystallography Open Database

Information card for entry 4109117

Preview

Coordinates	4109117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 B Cl F4 Fe N4 O3
Calculated formula	C21 H18 B Cl F4 Fe N4 O2
Title of publication	Synthesis, Structure, and Magnetic Properties of Valence Ambiguous Dinuclear Antiferromagnetically Coupled Cobalt and Ferromagnetically Coupled Iron Complexes Containing the Chloranilate(2-) and the Significantly Stronger Coupling Chloranilate(.3-) Radical Trianion
Authors of publication	Kil Sik Min; Antonio G. DiPasquale; James A. Golen; Arnold L. Rheingold; Joel S. Miller
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2360 - 2368
a	26.758 ± 0.004 Å
b	10.976 ± 0.0017 Å
c	16.503 ± 0.003 Å
α	90°
β	93.324 ± 0.002°
γ	90°
Cell volume	4838.7 ± 1.4 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178837 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91.	4109117.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109117.cif
57871	2012-05-23	cif/ Adding structures of 4109117 via cif-deposit CGI script.	4109117.cif