Crystallography Open Database

Information card for entry 1503747

Preview

Coordinates	1503747.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	JYW02157
Chemical name	Dichloro(6-methyl-2-((α-methyl)benzyliminomethyl)pyridine-N,N')iron(II)
Formula	C15 H16 Cl2 Fe N2
Calculated formula	C15 H16 Cl2 Fe N2
Title of publication	Iron-catalyzed 1,4-addition of alpha-olefins to dienes.
Authors of publication	Moreau, Benoît; Wu, Jessica Y.; Ritter, Tobias
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	2
Pages of publication	337 - 339
a	14.3528 ± 0.0007 Å
b	15.0877 ± 0.0007 Å
c	15.1959 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3290.7 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0944
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503747.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503747.cif
39042	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503747 via cif-deposit CGI script.	1503747.cif