Crystallography Open Database

Information card for entry 4070522

Preview

Coordinates	4070522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H15 Fe2 S3
Calculated formula	C38.1 H15 Fe2 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	23.8072 ± 0.0004 Å
b	23.8072 ± 0.0004 Å
c	23.8072 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	13493.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	4070522.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070522.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070522.cif
42536	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070522 via cif-deposit CGI script.	4070522.cif