Crystallography Open Database

Information card for entry 4331909

4331908 << 4331909 >> 4331910

Preview

Coordinates	4331909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H66 Fe K N4 O2
Calculated formula	C43 H66 Fe K N4 O2
SMILES	[Fe]12(N(C(=C)c3[n]1c(ccc3)C(=C)N2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N]([K](O(CC)CC)[O](CC)CC)(C)C
Title of publication	Bis(imino)pyridine Ligand Deprotonation Promoted by a Transient Iron Amide
Authors of publication	Bouwkamp, Marco W.; Lobkovsky, Emil; Chirik, Paul J.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	2 - 4
a	13.0345 ± 0.0009 Å
b	19.0398 ± 0.0014 Å
c	17.7903 ± 0.0014 Å
α	90°
β	94.093 ± 0.002°
γ	90°
Cell volume	4403.8 ± 0.6 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1139
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179422 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/19.	4331909.cif
97967	2014-01-29	cif/ Adding structures of 4331909 via cif-deposit CGI script.	4331909.cif