Crystallography Open Database

Information card for entry 4324760

Preview

Coordinates	4324760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.5 H45 N3
Calculated formula	C33.5 H45 N3
Title of publication	Synthesis, Electronic Structure, and Catalytic Activity of Reduced Bis(aldimino)pyridine Iron Compounds: Experimental Evidence for Ligand Participation
Authors of publication	Sarah K. Russell; Carsten Milsmann; Emil Lobkovsky; Thomas Weyhermüller; Paul J. Chirik
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3159 - 3169
a	8.4772 ± 0.0012 Å
b	29.51 ± 0.004 Å
c	24.084 ± 0.003 Å
α	90°
β	91.744 ± 0.004°
γ	90°
Cell volume	6022.1 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0593
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4324760.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324760.cif
43211	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324760 via cif-deposit CGI script.	4324760.cif