Crystallography Open Database

Information card for entry 1504722

Preview

Coordinates	1504722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H53 Fe N3 Si2
Calculated formula	C29 H53 Fe N3 Si2
SMILES	[Fe]12([N](=C(C)c3[n]1c(ccc3)C(=[N]2C1CCCCC1)C)C1CCCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Bis(imino)pyridine iron complexes for aldehyde and ketone hydrosilylation.
Authors of publication	Tondreau, Aaron M.; Lobkovsky, Emil; Chirik, Paul J.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	13
Pages of publication	2789 - 2792
a	10.2047 ± 0.0007 Å
b	10.8572 ± 0.0007 Å
c	15.5304 ± 0.001 Å
α	70.723 ± 0.003°
β	81.924 ± 0.003°
γ	78.508 ± 0.002°
Cell volume	1586.45 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1504722.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504722.cif
42316	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504722 via cif-deposit CGI script.	1504722.cif