Crystallography Open Database

Information card for entry 4078130

Preview

Coordinates	4078130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H77 Fe2 S2 Si2
Calculated formula	C47 H56 Fe2 S2 Si2
Title of publication	Synthesis of Sulfur- and Nitrogen-Bridged Diiron Complexes and Catalytic Behavior toward Hydrazines
Authors of publication	Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	2953
a	12.4298 ± 0.0006 Å
b	13.8048 ± 0.0008 Å
c	15.5245 ± 0.0008 Å
α	89.869 ± 0.002°
β	71.536 ± 0.001°
γ	76.876 ± 0.002°
Cell volume	2453.7 ± 0.2 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178670 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/81.	4078130.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078130.cif
57721	2012-05-18	cif/ Adding structures of 4078130, 4078131, 4078132, 4078133, 4078134, 4078135 via cif-deposit CGI script.	4078130.cif