Crystallography Open Database

Information card for entry 4106199

Preview

Coordinates	4106199.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[SiPiprSAd2]Fe(H)(N2)
Formula	C58 H80 Fe N2 P S2 Si
Calculated formula	C58 H79.144 Fe N2 P S2 Si
Title of publication	Dinitrogen Complexes of Sulfur-Ligated Iron
Authors of publication	Ayumi Takaoka; Neal P. Mankad; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	8440 - 8443
a	11.0806 ± 0.0005 Å
b	13.0186 ± 0.0006 Å
c	19.1039 ± 0.0008 Å
α	93.752 ± 0.001°
β	105.59 ± 0.001°
γ	91.585 ± 0.001°
Cell volume	2645.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
178807 (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 4/10/61.	4106199.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106199.cif
52997	2012-04-17	cif/ Adding structures of 4106199 via cif-deposit CGI script.	4106199.cif