Crystallography Open Database

Information card for entry 4071885

Preview

Coordinates	4071885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Fe2 N2 O2
Calculated formula	C34 H34 Fe2 N2 O2
Title of publication	Addition of Isocyanides at Diiron μ-Vinyliminium Complexes: Synthesis of Novel Ketenimine−Bis(alkylidene) Complexes
Authors of publication	Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	19
Pages of publication	5058
a	15.125 ± 0.003 Å
b	12.884 ± 0.003 Å
c	15.943 ± 0.003 Å
α	90°
β	106.24 ± 0.03°
γ	90°
Cell volume	2982.9 ± 1.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178607 (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 4/07/18.	4071885.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071885.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071885.cif
44097	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071885 via cif-deposit CGI script.	4071885.cif