Crystallography Open Database

Information card for entry 4070656

Preview

Coordinates	4070656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 Fe N3
Calculated formula	C34 H46 Fe N3
Title of publication	Synthesis of Bis(imino)pyridine Iron Di- and Monoalkyl Complexes: Stability Differences between FeCH2SiMe3and FeCH2CMe3Derivatives
Authors of publication	Fernández, Ignacio; Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	1
Pages of publication	109
a	32.313 ± 0.005 Å
b	9.3004 ± 0.0013 Å
c	22.451 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6747.1 ± 1.9 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.206
Weighted residual factors for all reflections included in the refinement	0.2215
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
178595 (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 4/07/06.	4070656.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070656.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070656.cif
42624	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070656 via cif-deposit CGI script.	4070656.cif