Crystallography Open Database

Information card for entry 4113092

Preview

Coordinates	4113092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H59 Fe N3 Si2
Calculated formula	C46.5 H59 Fe N3 Si2
Title of publication	Preparation and Molecular and Electronic Structures of Iron(0) Dinitrogen and Silane Complexes and Their Application to Catalytic Hydrogenation and Hydrosilation
Authors of publication	Suzanne C. Bart; Emil Lobkovsky; Paul J. Chirik
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13794 - 13807
a	13.618 ± 0.0006 Å
b	12.4246 ± 0.0005 Å
c	26.3319 ± 0.001 Å
α	90°
β	102.024 ± 0.001°
γ	90°
Cell volume	4357.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.092
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
178901 (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 4/11/30.	4113092.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113092.cif
65512	2012-09-05	cif/ Adding structures of 4113092 via cif-deposit CGI script.	4113092.cif