Crystallography Open Database

Information card for entry 4108263

Preview

Coordinates	4108263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H50 Br Fe N3 O
Calculated formula	C37 H50 Br Fe N3 O
Title of publication	Bis(imino)pyridine Iron Alkyls Containing β-Hydrogens: Synthesis, Evaluation of Kinetic Stability, and Decomposition Pathways Involving Chelate Participation
Authors of publication	Ryan J. Trovitch; Emil Lobkovsky; Paul J. Chirik
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	11631 - 11640
a	10.2777 ± 0.0003 Å
b	15.6945 ± 0.0006 Å
c	22.1373 ± 0.0007 Å
α	90°
β	100.634 ± 0.002°
γ	90°
Cell volume	3509.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.086
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
178828 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/82.	4108263.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108263.cif
56616	2012-05-14	cif/ Adding structures of 4108263 via cif-deposit CGI script.	4108263.cif