Crystallography Open Database

Information card for entry 4119018

4119017 << 4119018 >> 4119019

Preview

Coordinates	4119018.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[L(Me)Fe]2(u-C10H10N2)
Formula	C83 H114 Fe2 N8
Calculated formula	C83 H114 Fe2 N8
Title of publication	Reversible C-C Bond Formation between Redox-Active Pyridine Ligands in Iron Complexes
Authors of publication	Thomas R. Dugan; Eckhard Bill; K. Cory MacLeod; Gemma J. Christian; Ryan E. Cowley; William W. Brennessel; Shengfa Ye; Frank Neese; Patrick L. Holland
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	20352 - 20364
a	14.676 ± 0.003 Å
b	34.656 ± 0.008 Å
c	14.788 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7521 ± 3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
178961 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/90.	4119018.cif
76592	2013-03-20	cif/ Adding structures of 4119018 via cif-deposit CGI script.	4119018.cif