Crystallography Open Database

Information card for entry 4070524

Preview

Coordinates	4070524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H54 Fe2 N S3
Calculated formula	C31 H54 Fe2 N S3
Title of publication	Synthesis and Reactions of Novel Triply Thiolate-Bridged Diiron Complexes [CpFe(μ2-SR)3FeCp] (Cp*= η5-C5Me5; R = Et, Ph)
Authors of publication	Chen, Yanhui; Zhou, Yuhan; Qu, Jingping
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	666
a	9.1039 ± 0.0009 Å
b	33.854 ± 0.003 Å
c	11.6173 ± 0.0011 Å
α	90°
β	105.452 ± 0.005°
γ	90°
Cell volume	3451.1 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.0527
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
178594 (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 4/07/05.	4070524.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070524.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070524.cif
42538	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070524 via cif-deposit CGI script.	4070524.cif