Crystallography Open Database

Information card for entry 4105562

Preview

Coordinates	4105562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 F6 Fe2 N2 P S2
Calculated formula	C22 H38 F6 Fe2 N2 P S2
Title of publication	Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes
Authors of publication	Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	1147 - 1149
a	8.6394 ± 0.0002 Å
b	11.5514 ± 0.0002 Å
c	14.9011 ± 0.0003 Å
α	76.524 ± 0.001°
β	79.205 ± 0.001°
γ	85.115 ± 0.001°
Cell volume	1419.21 ± 0.05 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0464
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
178801 (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 4/10/55.	4105562.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105562.cif
52321	2012-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4105562 via cif-deposit CGI script.	4105562.cif