Crystallography Open Database

Information card for entry 4106198

Preview

Coordinates	4106198.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[[SiPipr2S]Fe]2
Formula	C70 H104 Fe2 P4 S2 Si2
Calculated formula	C70 H52 Fe2 P4 S2 Si2
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	12.2792 ± 0.0014 Å
b	18.8853 ± 0.0018 Å
c	14.6011 ± 0.0019 Å
α	90°
β	90.993 ± 0.008°
γ	90°
Cell volume	3385.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.2502
Residual factor for significantly intense reflections	0.1426
Weighted residual factors for significantly intense reflections	0.3305
Weighted residual factors for all reflections included in the refinement	0.3619
Goodness-of-fit parameter for all reflections included in the refinement	1.613
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.	4106198.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106198.cif
52996	2012-04-17	cif/ Adding structures of 4106198 via cif-deposit CGI script.	4106198.cif