Crystallography Open Database

Information card for entry 4072273

Preview

Coordinates	4072273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 Co N3
Calculated formula	C25 H34 Co N3
SMILES	[Co]12(C)[n]3c(C(C)=[N]1c1c(cccc1C(C)C)C(C)C)cccc3C(C)=[N]2CC=C
Title of publication	Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†
Authors of publication	Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	24
Pages of publication	6547
a	12.706 ± 0.001 Å
b	11.551 ± 0.001 Å
c	15.914 ± 0.001 Å
α	90°
β	98.78 ± 0.01°
γ	90°
Cell volume	2308.3 ± 0.3 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
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	0.0824
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
178611 (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 4/07/22.	4072273.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072273.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072273.cif
44316	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072273 via cif-deposit CGI script.	4072273.cif