Crystallography Open Database

Information card for entry 4109592

Preview

Coordinates	4109592.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holas09
Formula	C96 H148 Fe2 N4
Calculated formula	C96 H148 Fe2 N4
Title of publication	Mechanistic Insight into NN Cleavage by a Low-Coordinate Iron(II) Hydride Complex
Authors of publication	Azwana R. Sadique; Elizabeth A. Gregory; William W. Brennessel; Patrick L. Holland
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8112 - 8121
a	50.91 ± 0.003 Å
b	14.3387 ± 0.0009 Å
c	28.6998 ± 0.0018 Å
α	90°
β	123.668 ± 0.001°
γ	90°
Cell volume	17436.2 ± 1.9 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
178841 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/95.	4109592.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109592.cif
58369	2012-05-28	cif/ Adding structures of 4109592 via cif-deposit CGI script.	4109592.cif