Crystallography Open Database

Information card for entry 4078560

Preview

Coordinates	4078560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H74 Cl Fe2 N6
Calculated formula	C46 H74 Cl Fe2 N6
Title of publication	Dinuclear Iron‒Imido Complexes withN-Heterocyclic Carbene Ligation: Synthesis, Structure, and Redox Reactivity
Authors of publication	Zhang, Qiang; Xiang, Li; Deng, Liang
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4537
a	9.254 ± 0.0008 Å
b	20.2564 ± 0.0016 Å
c	12.4305 ± 0.001 Å
α	90°
β	97.286 ± 0.001°
γ	90°
Cell volume	2311.3 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2147
Weighted residual factors for all reflections included in the refinement	0.2196
Goodness-of-fit parameter for all reflections included in the refinement	1.219
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
178674 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/85.	4078560.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078560.cif
62414	2012-07-07	cif/ Adding structures of 4078556, 4078557, 4078558, 4078559, 4078560 via cif-deposit CGI script.	4078560.cif