Crystallography Open Database

Information card for entry 4331704

Preview

Coordinates	4331704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H72 Fe N4
Calculated formula	C51 H72 Fe N4
Title of publication	Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides
Authors of publication	Xiaojie Wang; Zhenbo Mo; Jie Xiao; Liang Deng
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	59 - 65
a	11.1412 ± 0.0007 Å
b	13.5297 ± 0.0009 Å
c	18.027 ± 0.0012 Å
α	101.373 ± 0.001°
β	91.985 ± 0.001°
γ	114.128 ± 0.001°
Cell volume	2411 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179420 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17.	4331704.cif
97817	2014-01-29	cif/ Adding structures of 4331704 via cif-deposit CGI script.	4331704.cif