Crystallography Open Database

Information card for entry 4086059

Preview

Coordinates	4086059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H47 Fe2 N3 O
Calculated formula	C48 H47 Fe2 N3 O
Title of publication	C‒N Coupling of Isocyanide Ligands Promoted by Acetylide Addition to Diiron Aminocarbyne Complexes
Authors of publication	Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	14
Pages of publication	3658
a	12.291 ± 0.003 Å
b	17.124 ± 0.003 Å
c	18.91 ± 0.004 Å
α	90°
β	96.62 ± 0.03°
γ	90°
Cell volume	3953.5 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1001
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4086059.cif
152900	2015-08-05	cif/ Updating files of 4086059, 4086060 Original log message: Adding full bibliography for 4086059--4086060.cif.	4086059.cif
144166	2015-07-11	cif/ Adding structures of 4086059, 4086060 via cif-deposit CGI script.	4086059.cif