Crystallography Open Database

Information card for entry 4084078

Preview

Coordinates	4084078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 Fe2 N2 O2
Calculated formula	C31 H32 Fe2 N2 O2
Title of publication	Coupling of Isocyanide and μ-Aminocarbyne Ligands in Diiron Complexes Promoted by Hydride Addition
Authors of publication	Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	15
Pages of publication	3990
a	8.3237 ± 0.0017 Å
b	14.902 ± 0.003 Å
c	21.21 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2630.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
178729 (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 4/08/40.	4084078.cif
123077	2014-09-06	cif/ Updating files of 4084078, 4084079 Original log message: Adding full bibliography for 4084078--4084079.cif.	4084078.cif
120751	2014-07-25	cif/ Adding structures of 4084078 via cif-deposit CGI script.	4084078.cif